N-[[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine

C27H36N2O — CID 11675797

IUPACN-[[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CC1[C@H]2CN(Cc3ccccc3)C[C@@H]12)C1CCc2ccc(OC)cc2C1
InChIInChI=1S/C27H36N2O/c1-3-13-29(23-11-9-21-10-12-24(30-2)15-22(21)14-23)19-27-25-17-28(18-26(25)27)16-20-7-5-4-6-8-20/h4-8,10,12,15,23,25-27H,3,9,11,13-14,16-19H2,1-2H3/t23?,25-,26+,27?
InChIKeySULFLOUQWGHBTC-INPZHYGNSA-N
MW404.60 g/mol
LogP4.64
Rot. Bonds8

About N-[[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine

N-[[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 11675797) has the molecular formula C27H36N2O and a molecular weight of 404.60 g/mol. Its IUPAC name is N-[[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID11675797
Molecular FormulaC27H36N2O
Molecular Weight404.60 g/mol
Exact Mass404.28
IUPAC NameN-[[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CC1[C@H]2CN(Cc3ccccc3)C[C@@H]12)C1CCc2ccc(OC)cc2C1
InChIInChI=1S/C27H36N2O/c1-3-13-29(23-11-9-21-10-12-24(30-2)15-22(21)14-23)19-27-25-17-28(18-26(25)27)16-20-7-5-4-6-8-20/h4-8,10,12,15,23,25-27H,3,9,11,13-14,16-19H2,1-2H3/t23?,25-,26+,27?
InChIKeySULFLOUQWGHBTC-INPZHYGNSA-N
XLogP4.64
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine with MolForge

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Related Compounds

2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetic acid
CID 115511171
(2S)-N-ethyl-7-methoxy-N-prop-2-ynyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 125486652
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylazetidin-3-amine
CID 115510861
methyl N-benzyl-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 23191739
N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-piperazin-1-yl-N-propylacetamide
CID 45139976
3-benzyl-10b-ethyl-9-methoxy-1,2,4,4a,5,6-hexahydrobenzo[f]isoquinoline
CID 70510282
3-[4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]butyl]oxan-2-one
CID 70026011
2-[ethyl-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-2-methylpropanoic acid
CID 115511164
(2R)-N-benzyl-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10063953
(7R)-7-[benzyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 15703621
4-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-methylamino]butanoic acid
CID 115511176
(2S)-1-[benzyl-(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)amino]-3-phenoxypropan-2-ol
CID 57027143

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-[[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 11675797) is N-[[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-[[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-[[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CC1[C@H]2CN(Cc3ccccc3)C[C@@H]12)C1CCc2ccc(OC)cc2C1.
What is the InChIKey of N-[[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is SULFLOUQWGHBTC-INPZHYGNSA-N. The full InChI is InChI=1S/C27H36N2O/c1-3-13-29(23-11-9-21-10-12-24(30-2)15-22(21)14-23)19-27-25-17-28(18-26(25)27)16-20-7-5-4-6-8-20/h4-8,10,12,15,23,25-27H,3,9,11,13-14,16-19H2,1-2H3/t23?,25-,26+,27?.
What are the key properties of N-[[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine?
N-[[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 404.60 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,5S)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-7-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 11675797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).