4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride

C12H26Cl2N2 — CID 86277318

IUPAC4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride
SMILESCl.Cl.NC1CCC(NCC2CCCC2)CC1
InChIInChI=1S/C12H24N2.2ClH/c13-11-5-7-12(8-6-11)14-9-10-3-1-2-4-10;;/h10-12,14H,1-9,13H2;2*1H
InChIKeyHFEXTHKYDWBMTH-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.88
Rot. Bonds3

About 4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride

4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride (PubChem CID 86277318) has the molecular formula C12H26Cl2N2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride.

Molecular Properties

Compound Name4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride
PubChem CID86277318
Molecular FormulaC12H26Cl2N2
Molecular Weight269.26 g/mol
Exact Mass268.15
IUPAC Name4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride
SMILESCl.Cl.NC1CCC(NCC2CCCC2)CC1
InChIInChI=1S/C12H24N2.2ClH/c13-11-5-7-12(8-6-11)14-9-10-3-1-2-4-10;;/h10-12,14H,1-9,13H2;2*1H
InChIKeyHFEXTHKYDWBMTH-UHFFFAOYSA-N
XLogP2.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(cyclohexylmethyl)cyclopentane-1,3-diamine
CID 79461432
N-(cyclobutylmethyl)cycloheptanamine
CID 43298514
N-(cyclobutylmethyl)cyclobutanamine
CID 57306046
N-(cyclohexylmethyl)cyclohexanamine;ethene
CID 143308482
4-[(cyclopentylmethylamino)methyl]cyclohexan-1-amine
CID 115213454
4-N-cyclopentylcyclohexane-1,4-diamine;dihydrochloride
CID 86277360
4-N-[3-(cyclohexylamino)propyl]cyclohexane-1,4-diamine
CID 121321911
N-(cycloheptylmethyl)thian-4-amine
CID 115685592
trans-(1S,2S)-2-[(cyclopropylamino)methyl]cyclohexan-1-amine
CID 66594618
2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol
CID 79741802
N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine
CID 65081336
N-(cyclohexylmethyl)-4-phenylcyclohexan-1-amine;hydrochloride
CID 19935156

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride?
The IUPAC name of 4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride (CID 86277318) is 4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride.
What is the SMILES notation for 4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride?
The canonical SMILES for 4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride is Cl.Cl.NC1CCC(NCC2CCCC2)CC1.
What is the InChIKey of 4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride?
The InChIKey is HFEXTHKYDWBMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2.2ClH/c13-11-5-7-12(8-6-11)14-9-10-3-1-2-4-10;;/h10-12,14H,1-9,13H2;2*1H.
What are the key properties of 4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride?
4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride has a molecular weight of 269.26 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopentylmethyl)cyclohexane-1,4-diamine;dihydrochloride is sourced from PubChem (CID 86277318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).