trans-(1R,2R)-N-[(S)-methoxy(pyridin-2-yl)methyl]-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine

C19H24N4O — CID 139156438

IUPACtrans-(1R,2R)-N-[(S)-methoxy(pyridin-2-yl)methyl]-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine
SMILESCO[C@H](N[C@@H]1CCCC[C@H]1/N=C/c1ccccn1)c1ccccn1
InChIInChI=1S/C19H24N4O/c1-24-19(18-11-5-7-13-21-18)23-17-10-3-2-9-16(17)22-14-15-8-4-6-12-20-15/h4-8,11-14,16-17,19,23H,2-3,9-10H2,1H3/b22-14+/t16-,17-,19+/m1/s1
InChIKeyDCJWEGKHKWSWBF-RESBBRTPSA-N
MW324.43 g/mol
LogP3.14
Rot. Bonds6

About trans-(1R,2R)-N-[(S)-methoxy(pyridin-2-yl)methyl]-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine

trans-(1R,2R)-N-[(S)-methoxy(pyridin-2-yl)methyl]-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine (PubChem CID 139156438) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(S)-methoxy(pyridin-2-yl)methyl]-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(S)-methoxy(pyridin-2-yl)methyl]-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine
PubChem CID139156438
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Nametrans-(1R,2R)-N-[(S)-methoxy(pyridin-2-yl)methyl]-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine
SMILESCO[C@H](N[C@@H]1CCCC[C@H]1/N=C/c1ccccn1)c1ccccn1
InChIInChI=1S/C19H24N4O/c1-24-19(18-11-5-7-13-21-18)23-17-10-3-2-9-16(17)22-14-15-8-4-6-12-20-15/h4-8,11-14,16-17,19,23H,2-3,9-10H2,1H3/b22-14+/t16-,17-,19+/m1/s1
InChIKeyDCJWEGKHKWSWBF-RESBBRTPSA-N
XLogP3.14
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine
CID 71072571
N-[(1R)-1-cyclohexylethyl]-1-pyridin-2-ylmethanimine
CID 100979849
trans-(1S,2S)-2-[[(1R)-1-pyridin-2-ylethyl]amino]cyclohexan-1-ol
CID 102731505
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
2-methoxy-N-[phenyl(pyridin-2-yl)methyl]cyclopentan-1-amine
CID 62088543
N-(cyclohexylmethyl)-2-methoxy-2-pyridin-2-ylethanethioamide
CID 88821469
2-(aminomethyl)-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81402190
1-(2-methoxyphenyl)-N-[(1R,2R)-2-[(2-methoxyphenyl)methylideneamino]cyclohexyl]methanimine
CID 11268143
N-[(1R)-1-pyridin-2-ylethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 81401806
1-pyridin-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanimine
CID 102110505

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(S)-methoxy(pyridin-2-yl)methyl]-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine?
The IUPAC name of trans-(1R,2R)-N-[(S)-methoxy(pyridin-2-yl)methyl]-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine (CID 139156438) is trans-(1R,2R)-N-[(S)-methoxy(pyridin-2-yl)methyl]-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine.
What is the SMILES notation for trans-(1R,2R)-N-[(S)-methoxy(pyridin-2-yl)methyl]-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine?
The canonical SMILES for trans-(1R,2R)-N-[(S)-methoxy(pyridin-2-yl)methyl]-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine is CO[C@H](N[C@@H]1CCCC[C@H]1/N=C/c1ccccn1)c1ccccn1.
What is the InChIKey of trans-(1R,2R)-N-[(S)-methoxy(pyridin-2-yl)methyl]-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine?
The InChIKey is DCJWEGKHKWSWBF-RESBBRTPSA-N. The full InChI is InChI=1S/C19H24N4O/c1-24-19(18-11-5-7-13-21-18)23-17-10-3-2-9-16(17)22-14-15-8-4-6-12-20-15/h4-8,11-14,16-17,19,23H,2-3,9-10H2,1H3/b22-14+/t16-,17-,19+/m1/s1.
What are the key properties of trans-(1R,2R)-N-[(S)-methoxy(pyridin-2-yl)methyl]-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine?
trans-(1R,2R)-N-[(S)-methoxy(pyridin-2-yl)methyl]-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine has a molecular weight of 324.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(S)-methoxy(pyridin-2-yl)methyl]-2-(pyridin-2-ylmethylideneamino)cyclohexan-1-amine is sourced from PubChem (CID 139156438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).