trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclohexan-1-amine

C11H19N3 — CID 94247341

IUPACtrans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclohexan-1-amine
SMILESC[C@H]1CCCC[C@@H]1NCc1ncc[nH]1
InChIInChI=1S/C11H19N3/c1-9-4-2-3-5-10(9)14-8-11-12-6-7-13-11/h6-7,9-10,14H,2-5,8H2,1H3,(H,12,13)/t9-,10-/m0/s1
InChIKeyWYTUVXIWLQTTAX-UWVGGRQHSA-N
MW193.29 g/mol
LogP2.08
Rot. Bonds3

About trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclohexan-1-amine

trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclohexan-1-amine (PubChem CID 94247341) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclohexan-1-amine
PubChem CID94247341
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Nametrans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclohexan-1-amine
SMILESC[C@H]1CCCC[C@@H]1NCc1ncc[nH]1
InChIInChI=1S/C11H19N3/c1-9-4-2-3-5-10(9)14-8-11-12-6-7-13-11/h6-7,9-10,14H,2-5,8H2,1H3,(H,12,13)/t9-,10-/m0/s1
InChIKeyWYTUVXIWLQTTAX-UWVGGRQHSA-N
XLogP2.08
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-2-propylcyclohexan-1-amine;hydrochloride
CID 115618879
2-butyl-N-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;hydrochloride
CID 115618877
2-[[[4-[[[2-(1H-imidazol-2-ylmethylamino)cyclohexyl]amino]methyl]phenyl]methylamino]methyl]pyridin-3-ol
CID 22018781
2-[[[4-[[[(1S,2R)-2-(1H-imidazol-2-ylmethylamino)cyclohexyl]amino]methyl]phenyl]methylamino]methyl]pyridin-3-ol;hydrobromide
CID 69328462
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine
CID 103700134
N-(1H-imidazol-2-ylmethyl)oxan-3-amine
CID 63359807
N-(1H-imidazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine
CID 80705410
N-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428515
cis-(1R,2S)-2-methyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine
CID 94577889
1-tert-butyl-N-(1H-imidazol-2-ylmethyl)piperidin-4-amine
CID 54976574
N-(1H-imidazol-2-ylmethyl)-1,1-dioxothian-3-amine
CID 63922123
2-methyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclopentan-1-amine
CID 63278046

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclohexan-1-amine (CID 94247341) is trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclohexan-1-amine is C[C@H]1CCCC[C@@H]1NCc1ncc[nH]1.
What is the InChIKey of trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclohexan-1-amine?
The InChIKey is WYTUVXIWLQTTAX-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H19N3/c1-9-4-2-3-5-10(9)14-8-11-12-6-7-13-11/h6-7,9-10,14H,2-5,8H2,1H3,(H,12,13)/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclohexan-1-amine?
trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclohexan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclohexan-1-amine is sourced from PubChem (CID 94247341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).