(1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine

C16H26N2O2 — CID 103172633

IUPAC(1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine
SMILESCOc1ccnc(CN[C@@H](C)C2CCCCC2)c1OC
InChIInChI=1S/C16H26N2O2/c1-12(13-7-5-4-6-8-13)18-11-14-16(20-3)15(19-2)9-10-17-14/h9-10,12-13,18H,4-8,11H2,1-3H3/t12-/m0/s1
InChIKeyNVSVCEJWIWWHKV-LBPRGKRZSA-N
MW278.40 g/mol
LogP3.16
Rot. Bonds6

About (1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine

(1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine (PubChem CID 103172633) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine
PubChem CID103172633
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine
SMILESCOc1ccnc(CN[C@@H](C)C2CCCCC2)c1OC
InChIInChI=1S/C16H26N2O2/c1-12(13-7-5-4-6-8-13)18-11-14-16(20-3)15(19-2)9-10-17-14/h9-10,12-13,18H,4-8,11H2,1-3H3/t12-/m0/s1
InChIKeyNVSVCEJWIWWHKV-LBPRGKRZSA-N
XLogP3.16
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-cycloheptyl-N-[(2,3-dimethoxyphenyl)methyl]ethanamine
CID 81391569
(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclohexylethanamine
CID 81388553
(1R)-N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-cyclopentylethanamine
CID 81394276
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
(1S)-1-(4-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine
CID 103172619
(1R)-1-cyclohexyl-N-[(2-methoxy-3-pyridinyl)methyl]ethanamine
CID 81384352
1-(4-bromophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine
CID 103172357
1-cyclopropyl-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 43400170
ethyl 2-[(3,4-dimethoxy-2-pyridinyl)methylamino]propanoate
CID 103172348
2-[(3,4-dimethoxy-2-pyridinyl)methylamino]-N,N-dimethylpropanamide
CID 103172328
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 103172520
(1S)-N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-1-cyclohexylethanamine
CID 81390961

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine (CID 103172633) is (1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine is COc1ccnc(CN[C@@H](C)C2CCCCC2)c1OC.
What is the InChIKey of (1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine?
The InChIKey is NVSVCEJWIWWHKV-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(13-7-5-4-6-8-13)18-11-14-16(20-3)15(19-2)9-10-17-14/h9-10,12-13,18H,4-8,11H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine?
(1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine has a molecular weight of 278.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 103172633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).