N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-(cyclopropylmethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

C33H48N2O2 — CID 158457147

IUPACN-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-(cyclopropylmethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CC1CC1)C1CCc2c(cccc2OC)C1.COc1cccc2c1CCC(NCC1CC1)C2
InChIInChI=1S/C18H27NO.C15H21NO/c1-3-11-19(13-14-7-8-14)16-9-10-17-15(12-16)5-4-6-18(17)20-2;1-17-15-4-2-3-12-9-13(7-8-14(12)15)16-10-11-5-6-11/h4-6,14,16H,3,7-13H2,1-2H3;2-4,11,13,16H,5-10H2,1H3
InChIKeyHESDPEVAWRSWIF-UHFFFAOYSA-N
MW504.76 g/mol
LogP6.23
Rot. Bonds10

About N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-(cyclopropylmethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-(cyclopropylmethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 158457147) has the molecular formula C33H48N2O2 and a molecular weight of 504.76 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-(cyclopropylmethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-(cyclopropylmethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID158457147
Molecular FormulaC33H48N2O2
Molecular Weight504.76 g/mol
Exact Mass504.37
IUPAC NameN-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-(cyclopropylmethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CC1CC1)C1CCc2c(cccc2OC)C1.COc1cccc2c1CCC(NCC1CC1)C2
InChIInChI=1S/C18H27NO.C15H21NO/c1-3-11-19(13-14-7-8-14)16-9-10-17-15(12-16)5-4-6-18(17)20-2;1-17-15-4-2-3-12-9-13(7-8-14(12)15)16-10-11-5-6-11/h4-6,14,16H,3,7-13H2,1-2H3;2-4,11,13,16H,5-10H2,1H3
InChIKeyHESDPEVAWRSWIF-UHFFFAOYSA-N
XLogP6.23
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.76
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-(cyclopropylmethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-(cyclopropylmethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-(cyclopropylmethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine (CID 158457147) is N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-(cyclopropylmethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-(cyclopropylmethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-(cyclopropylmethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CC1CC1)C1CCc2c(cccc2OC)C1.COc1cccc2c1CCC(NCC1CC1)C2.
What is the InChIKey of N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-(cyclopropylmethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is HESDPEVAWRSWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO.C15H21NO/c1-3-11-19(13-14-7-8-14)16-9-10-17-15(12-16)5-4-6-18(17)20-2;1-17-15-4-2-3-12-9-13(7-8-14(12)15)16-10-11-5-6-11/h4-6,14,16H,3,7-13H2,1-2H3;2-4,11,13,16H,5-10H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-(cyclopropylmethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-(cyclopropylmethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 504.76 g/mol, XLogP of 6.23, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;N-(cyclopropylmethyl)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 158457147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).