trans-(1R,2R)-2-cyclohexylcyclopropan-1-amine;hydrochloride

C9H18ClN — CID 134690804

IUPACtrans-(1R,2R)-2-cyclohexylcyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@H]1C[C@@H]1C1CCCCC1
InChIInChI=1S/C9H17N.ClH/c10-9-6-8(9)7-4-2-1-3-5-7;/h7-9H,1-6,10H2;1H/t8-,9-;/m1./s1
InChIKeyMZXCUAACAJZJES-VTLYIQCISA-N
MW175.70 g/mol
LogP2.34
Rot. Bonds1

About trans-(1R,2R)-2-cyclohexylcyclopropan-1-amine;hydrochloride

trans-(1R,2R)-2-cyclohexylcyclopropan-1-amine;hydrochloride (PubChem CID 134690804) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is trans-(1R,2R)-2-cyclohexylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-cyclohexylcyclopropan-1-amine;hydrochloride
PubChem CID134690804
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC Nametrans-(1R,2R)-2-cyclohexylcyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@H]1C[C@@H]1C1CCCCC1
InChIInChI=1S/C9H17N.ClH/c10-9-6-8(9)7-4-2-1-3-5-7;/h7-9H,1-6,10H2;1H/t8-,9-;/m1./s1
InChIKeyMZXCUAACAJZJES-VTLYIQCISA-N
XLogP2.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-2-cyclopropylcyclopropan-1-amine
CID 91654438
(1S,7S,8R)-bicyclo[5.2.0]nonan-8-amine;hydrochloride
CID 138987457
2-cyclohexylcycloheptan-1-amine
CID 62603079
(2S,3S,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine
CID 102461320
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine
CID 18958568
(2S,3S,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,3-diamine
CID 102239581
(1R,6S,7R)-bicyclo[4.2.0]octan-7-amine
CID 124833630
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
3-cycloheptyl-2-methylcyclopentan-1-amine
CID 82924217
4-cycloheptyloxolan-3-amine
CID 84769198
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CID 67358979
4-(2-cycloheptylcyclobutyl)cyclononan-1-amine
CID 139360587

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-cyclohexylcyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1R,2R)-2-cyclohexylcyclopropan-1-amine;hydrochloride (CID 134690804) is trans-(1R,2R)-2-cyclohexylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1R,2R)-2-cyclohexylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1R,2R)-2-cyclohexylcyclopropan-1-amine;hydrochloride is Cl.N[C@@H]1C[C@@H]1C1CCCCC1.
What is the InChIKey of trans-(1R,2R)-2-cyclohexylcyclopropan-1-amine;hydrochloride?
The InChIKey is MZXCUAACAJZJES-VTLYIQCISA-N. The full InChI is InChI=1S/C9H17N.ClH/c10-9-6-8(9)7-4-2-1-3-5-7;/h7-9H,1-6,10H2;1H/t8-,9-;/m1./s1.
What are the key properties of trans-(1R,2R)-2-cyclohexylcyclopropan-1-amine;hydrochloride?
trans-(1R,2R)-2-cyclohexylcyclopropan-1-amine;hydrochloride has a molecular weight of 175.70 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-cyclohexylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 134690804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).