N-ethyl-2-methylcyclohexan-1-amine;hydrochloride

C9H20ClN — CID 50988234

IUPACN-ethyl-2-methylcyclohexan-1-amine;hydrochloride
SMILESCCNC1CCCCC1C.Cl
InChIInChI=1S/C9H19N.ClH/c1-3-10-9-7-5-4-6-8(9)2;/h8-10H,3-7H2,1-2H3;1H
InChIKeyBIRNRGQOMCVXTN-UHFFFAOYSA-N
MW177.72 g/mol
LogP2.60
Rot. Bonds2

About N-ethyl-2-methylcyclohexan-1-amine;hydrochloride

N-ethyl-2-methylcyclohexan-1-amine;hydrochloride (PubChem CID 50988234) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is N-ethyl-2-methylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-ethyl-2-methylcyclohexan-1-amine;hydrochloride
PubChem CID50988234
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC NameN-ethyl-2-methylcyclohexan-1-amine;hydrochloride
SMILESCCNC1CCCCC1C.Cl
InChIInChI=1S/C9H19N.ClH/c1-3-10-9-7-5-4-6-8(9)2;/h8-10H,3-7H2,1-2H3;1H
InChIKeyBIRNRGQOMCVXTN-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-N-ethyl-2-methylcyclopentan-1-amine
CID 71351363
N-ethyl-2-methylcyclohexan-1-amine;2-methylaniline
CID 174940718
ethanol;2-methyl-N-propylcycloheptan-1-amine
CID 71071730
cis-(1R,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660465
trans-(1S,2S)-2-(ethylamino)cyclohexan-1-ol
CID 28660461
N-[(1-ethylcyclopropyl)methyl]-2-methylcyclohexan-1-amine
CID 115892730
2-methyl-N-[(2-methylcyclopentyl)methyl]cyclohexan-1-amine
CID 107417002
2-methyl-N-(methylperoxymethyl)cyclohexan-1-amine
CID 54550710
N-(2-chloroprop-2-enyl)-2-methylcyclohexan-1-amine
CID 60688914
ethanol;2-methyl-N-propylcyclopentan-1-amine
CID 89249243
1-N-ethylcyclononane-1,2-diamine
CID 123480411
4-(ethylamino)-N-(2-methylcyclohexyl)oxolane-3-carboxamide
CID 66259421

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylcyclohexan-1-amine;hydrochloride?
The IUPAC name of N-ethyl-2-methylcyclohexan-1-amine;hydrochloride (CID 50988234) is N-ethyl-2-methylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for N-ethyl-2-methylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for N-ethyl-2-methylcyclohexan-1-amine;hydrochloride is CCNC1CCCCC1C.Cl.
What is the InChIKey of N-ethyl-2-methylcyclohexan-1-amine;hydrochloride?
The InChIKey is BIRNRGQOMCVXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-3-10-9-7-5-4-6-8(9)2;/h8-10H,3-7H2,1-2H3;1H.
What are the key properties of N-ethyl-2-methylcyclohexan-1-amine;hydrochloride?
N-ethyl-2-methylcyclohexan-1-amine;hydrochloride has a molecular weight of 177.72 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 50988234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).