trans-(1S,2S)-2-N-cyclopropyl-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine

C12H24N2 — CID 134438411

IUPACtrans-(1S,2S)-2-N-cyclopropyl-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
SMILESCCN[C@H]1CCCC[C@@H]1N(C)C1CC1
InChIInChI=1S/C12H24N2/c1-3-13-11-6-4-5-7-12(11)14(2)10-8-9-10/h10-13H,3-9H2,1-2H3/t11-,12-/m0/s1
InChIKeyKCAATEROYHWPON-RYUDHWBXSA-N
MW196.34 g/mol
LogP2.00
Rot. Bonds4

About trans-(1S,2S)-2-N-cyclopropyl-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine

trans-(1S,2S)-2-N-cyclopropyl-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine (PubChem CID 134438411) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is trans-(1S,2S)-2-N-cyclopropyl-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-N-cyclopropyl-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
PubChem CID134438411
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Nametrans-(1S,2S)-2-N-cyclopropyl-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
SMILESCCN[C@H]1CCCC[C@@H]1N(C)C1CC1
InChIInChI=1S/C12H24N2/c1-3-13-11-6-4-5-7-12(11)14(2)10-8-9-10/h10-13H,3-9H2,1-2H3/t11-,12-/m0/s1
InChIKeyKCAATEROYHWPON-RYUDHWBXSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1R,2S)-2-[cyclopropyl(methyl)amino]cyclohexyl]amino]ethanol
CID 124526902
1-N-ethyl-2-N,2-N-dimethylcyclododecane-1,2-diamine
CID 55192853
cis-(1S,2R)-2-N-cyclopropyl-1-N,2-N-dimethylcyclohexane-1,2-diamine
CID 97170112
2-N-[3-(dimethylamino)propyl]-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine
CID 63694161
2-N-(4-ethylcyclohexyl)-1-N,2-N-dimethylcyclooctane-1,2-diamine
CID 63469418
1-N,4-diethyl-2-N-methyl-2-N-(4-methylcyclohexyl)cyclohexane-1,2-diamine
CID 63468495
2-[[cyclopropyl(methyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 62616008
N-ethyl-2-methylcyclohexan-1-amine;hydrochloride
CID 50988234
3-N-cyclopentyl-1-N-ethyl-3-N-methylcyclopentane-1,3-diamine
CID 79644118
3-N-cyclohexyl-1-N-ethyl-3-N-methylcyclopentane-1,3-diamine
CID 79642460
N-[2-[2-(ethylamino)cyclopentyl]ethyl]-N,2-dimethylcyclohexan-1-amine
CID 79565613
1-N-ethyl-4-N-methyl-4-N-(2-methyloxolan-3-yl)cyclohexane-1,4-diamine
CID 114763514

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-N-cyclopropyl-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine?
The IUPAC name of trans-(1S,2S)-2-N-cyclopropyl-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine (CID 134438411) is trans-(1S,2S)-2-N-cyclopropyl-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1S,2S)-2-N-cyclopropyl-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine?
The canonical SMILES for trans-(1S,2S)-2-N-cyclopropyl-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine is CCN[C@H]1CCCC[C@@H]1N(C)C1CC1.
What is the InChIKey of trans-(1S,2S)-2-N-cyclopropyl-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine?
The InChIKey is KCAATEROYHWPON-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-13-11-6-4-5-7-12(11)14(2)10-8-9-10/h10-13H,3-9H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-N-cyclopropyl-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine?
trans-(1S,2S)-2-N-cyclopropyl-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-N-cyclopropyl-1-N-ethyl-2-N-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 134438411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).