N-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C17H26N2 — CID 81401806

IUPACN-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC[C@@H](NC1CCC2CCCCC2C1)c1ccccn1
InChIInChI=1S/C17H26N2/c1-13(17-8-4-5-11-18-17)19-16-10-9-14-6-2-3-7-15(14)12-16/h4-5,8,11,13-16,19H,2-3,6-7,9-10,12H2,1H3/t13-,14?,15?,16?/m1/s1
InChIKeySXUBRFVFAPTQMF-JYLOXXHMSA-N
MW258.41 g/mol
LogP4.09
Rot. Bonds3

About N-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 81401806) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID81401806
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESC[C@@H](NC1CCC2CCCCC2C1)c1ccccn1
InChIInChI=1S/C17H26N2/c1-13(17-8-4-5-11-18-17)19-16-10-9-14-6-2-3-7-15(14)12-16/h4-5,8,11,13-16,19H,2-3,6-7,9-10,12H2,1H3/t13-,14?,15?,16?/m1/s1
InChIKeySXUBRFVFAPTQMF-JYLOXXHMSA-N
XLogP4.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine with MolForge

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Related Compounds

N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine
CID 29052683
N-[(1S)-1-pyridin-2-ylethyl]cycloheptanamine
CID 28647798
N-(1-pyridin-2-ylethyl)cyclooctanamine
CID 43178142
3,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81401419
3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81402334
3,4-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81399472
3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81401608
3,5-dimethyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine
CID 64723808
3-cyclopropyl-N-(1-pyrazin-2-ylethyl)cyclohexan-1-amine
CID 75482982
N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 81401330
N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81406202
(3S)-N-(1-pyridin-2-ylethyl)piperidin-3-amine
CID 71637655

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 81401806) is N-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is C[C@@H](NC1CCC2CCCCC2C1)c1ccccn1.
What is the InChIKey of N-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is SXUBRFVFAPTQMF-JYLOXXHMSA-N. The full InChI is InChI=1S/C17H26N2/c1-13(17-8-4-5-11-18-17)19-16-10-9-14-6-2-3-7-15(14)12-16/h4-5,8,11,13-16,19H,2-3,6-7,9-10,12H2,1H3/t13-,14?,15?,16?/m1/s1.
What are the key properties of N-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 258.41 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 81401806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).