N-[[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pyrrolidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C25H44N2 — CID 20842676

IUPACN-[[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pyrrolidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC1CCC2CC(NCC3CCCN3C3CCC4CCCCC4C3)CCC2C1
InChIInChI=1S/C25H44N2/c1-3-8-21-16-23(13-11-19(21)6-1)26-18-25-10-5-15-27(25)24-14-12-20-7-2-4-9-22(20)17-24/h19-26H,1-18H2
InChIKeyCPAYRNFHSRZIDQ-UHFFFAOYSA-N
MW372.64 g/mol
LogP5.76
Rot. Bonds4

About N-[[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pyrrolidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-[[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pyrrolidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 20842676) has the molecular formula C25H44N2 and a molecular weight of 372.64 g/mol. Its IUPAC name is N-[[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pyrrolidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pyrrolidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID20842676
Molecular FormulaC25H44N2
Molecular Weight372.64 g/mol
Exact Mass372.35
IUPAC NameN-[[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pyrrolidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC1CCC2CC(NCC3CCCN3C3CCC4CCCCC4C3)CCC2C1
InChIInChI=1S/C25H44N2/c1-3-8-21-16-23(13-11-19(21)6-1)26-18-25-10-5-15-27(25)24-14-12-20-7-2-4-9-22(20)17-24/h19-26H,1-18H2
InChIKeyCPAYRNFHSRZIDQ-UHFFFAOYSA-N
XLogP5.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.64
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pyrrolidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]-N-methylmethanamine
CID 64625242
[1-(3-cyclopropylcyclohexyl)piperidin-2-yl]methanamine
CID 64624658
N-[[1-(oxan-4-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 63936106
3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
CID 64623574
(2R)-N-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 167179387
2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole
CID 57050908
N-[(1,1-dioxothiolan-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81038601
N-prop-2-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43222832
N-ethyl-3-(2-methylpyrrolidin-1-yl)cyclopentan-1-amine
CID 79644126
N-[(1-cyclohex-2-en-1-ylpiperidin-2-yl)methyl]cyclopropanamine
CID 114620815
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728592
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)acetic acid
CID 43774214

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pyrrolidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-[[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pyrrolidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 20842676) is N-[[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pyrrolidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-[[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pyrrolidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-[[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pyrrolidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is C1CCC2CC(NCC3CCCN3C3CCC4CCCCC4C3)CCC2C1.
What is the InChIKey of N-[[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pyrrolidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is CPAYRNFHSRZIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44N2/c1-3-8-21-16-23(13-11-19(21)6-1)26-18-25-10-5-15-27(25)24-14-12-20-7-2-4-9-22(20)17-24/h19-26H,1-18H2.
What are the key properties of N-[[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pyrrolidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-[[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pyrrolidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 372.64 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pyrrolidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 20842676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).