trans-(1S,2S)-2-[(cyclopropylamino)methyl]cyclohexan-1-amine

C10H20N2 — CID 66594618

IUPACtrans-(1S,2S)-2-[(cyclopropylamino)methyl]cyclohexan-1-amine
SMILESN[C@H]1CCCC[C@H]1CNC1CC1
InChIInChI=1S/C10H20N2/c11-10-4-2-1-3-8(10)7-12-9-5-6-9/h8-10,12H,1-7,11H2/t8-,10-/m0/s1
InChIKeyABDHLKOCOYXCQF-WPRPVWTQSA-N
MW168.28 g/mol
LogP1.26
Rot. Bonds3

About trans-(1S,2S)-2-[(cyclopropylamino)methyl]cyclohexan-1-amine

trans-(1S,2S)-2-[(cyclopropylamino)methyl]cyclohexan-1-amine (PubChem CID 66594618) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(cyclopropylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(cyclopropylamino)methyl]cyclohexan-1-amine
PubChem CID66594618
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Nametrans-(1S,2S)-2-[(cyclopropylamino)methyl]cyclohexan-1-amine
SMILESN[C@H]1CCCC[C@H]1CNC1CC1
InChIInChI=1S/C10H20N2/c11-10-4-2-1-3-8(10)7-12-9-5-6-9/h8-10,12H,1-7,11H2/t8-,10-/m0/s1
InChIKeyABDHLKOCOYXCQF-WPRPVWTQSA-N
XLogP1.26
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(cyclopentylamino)methyl]cyclopentan-1-amine
CID 64853218
N-[(2-aminocyclohexyl)methyl]-4-methylcycloheptan-1-amine
CID 114100509
(1S)-2-(methylaminomethyl)cyclohexan-1-amine
CID 129138174
2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol
CID 79741802
N-[(2-cycloheptylcycloheptyl)methyl]cyclopropanamine
CID 82935728
N-[(2-propylcycloheptyl)methyl]cyclopropanamine
CID 81026279
4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride
CID 86277318
2-[(cycloheptylamino)methyl]cyclohexan-1-ol
CID 64928206
trans-(1R,2R)-2-[(cyclohexylamino)methyl]cyclopentan-1-ol
CID 15716295
N-[(2-cyclohexylcyclobutyl)methyl]cyclopropanamine
CID 81017544
N-[(2-methylcyclopentyl)methyl]cyclooctanamine
CID 107417462
N-[[2-(3-ethylsulfonylpropyl)cyclohexyl]methyl]cyclopropanamine
CID 81024849

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(cyclopropylamino)methyl]cyclohexan-1-amine?
The IUPAC name of trans-(1S,2S)-2-[(cyclopropylamino)methyl]cyclohexan-1-amine (CID 66594618) is trans-(1S,2S)-2-[(cyclopropylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-[(cyclopropylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-[(cyclopropylamino)methyl]cyclohexan-1-amine is N[C@H]1CCCC[C@H]1CNC1CC1.
What is the InChIKey of trans-(1S,2S)-2-[(cyclopropylamino)methyl]cyclohexan-1-amine?
The InChIKey is ABDHLKOCOYXCQF-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H20N2/c11-10-4-2-1-3-8(10)7-12-9-5-6-9/h8-10,12H,1-7,11H2/t8-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(cyclopropylamino)methyl]cyclohexan-1-amine?
trans-(1S,2S)-2-[(cyclopropylamino)methyl]cyclohexan-1-amine has a molecular weight of 168.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(cyclopropylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 66594618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).