N-propylcyclohexanamine;hydrochloride

C9H20ClN — CID 17370003

IUPACN-propylcyclohexanamine;hydrochloride
SMILESCCCNC1CCCCC1.Cl
InChIInChI=1S/C9H19N.ClH/c1-2-8-10-9-6-4-3-5-7-9;/h9-10H,2-8H2,1H3;1H
InChIKeyMDSYHRIWTZGXNI-UHFFFAOYSA-N
MW177.72 g/mol
LogP2.74
Rot. Bonds3

About N-propylcyclohexanamine;hydrochloride

N-propylcyclohexanamine;hydrochloride (PubChem CID 17370003) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is N-propylcyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-propylcyclohexanamine;hydrochloride
PubChem CID17370003
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC NameN-propylcyclohexanamine;hydrochloride
SMILESCCCNC1CCCCC1.Cl
InChIInChI=1S/C9H19N.ClH/c1-2-8-10-9-6-4-3-5-7-9;/h9-10H,2-8H2,1H3;1H
InChIKeyMDSYHRIWTZGXNI-UHFFFAOYSA-N
XLogP2.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azane;N-propylcyclohexanamine
CID 19368218
4-N-cyclohexyl-1-N-propylcyclohexane-1,4-diamine
CID 82934190
N-propylcyclohexanamine;sulfuric acid
CID 22994805
N-butylcyclohexanamine;molecular hydrogen
CID 143047743
N-dodecylcyclohexanamine
CID 3679395
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N-(2-propoxyethyl)cyclohexanamine
CID 62583388
N-ethylcyclodecanamine
CID 148546213
N-ethylcyclooctanamine
CID 13112621
3-cyclohexylsulfanyl-N-propylcyclohexan-1-amine
CID 64716109
N-[2-[(1R,2R)-2-propylcyclopentyl]ethyl]cyclohexanamine
CID 125469957
N'-cyclohexyl-N-[2-(cyclohexylamino)ethyl]ethane-1,2-diamine
CID 23423562

Frequently Asked Questions

What is the IUPAC name of N-propylcyclohexanamine;hydrochloride?
The IUPAC name of N-propylcyclohexanamine;hydrochloride (CID 17370003) is N-propylcyclohexanamine;hydrochloride.
What is the SMILES notation for N-propylcyclohexanamine;hydrochloride?
The canonical SMILES for N-propylcyclohexanamine;hydrochloride is CCCNC1CCCCC1.Cl.
What is the InChIKey of N-propylcyclohexanamine;hydrochloride?
The InChIKey is MDSYHRIWTZGXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-2-8-10-9-6-4-3-5-7-9;/h9-10H,2-8H2,1H3;1H.
What are the key properties of N-propylcyclohexanamine;hydrochloride?
N-propylcyclohexanamine;hydrochloride has a molecular weight of 177.72 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylcyclohexanamine;hydrochloride is sourced from PubChem (CID 17370003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).