N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride

C20H42Cl2N2 — CID 3029604

IUPACN,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
SMILESC(CCCCNC1CCCCC1)CCCNC1CCCCC1.Cl.Cl
InChIInChI=1S/C20H40N2.2ClH/c1(3-11-17-21-19-13-7-5-8-14-19)2-4-12-18-22-20-15-9-6-10-16-20;;/h19-22H,1-18H2;2*1H
InChIKeyLBVBXYBGVMKRCT-UHFFFAOYSA-N
MW381.48 g/mol
LogP6.02
Rot. Bonds11

About N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride

N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride (PubChem CID 3029604) has the molecular formula C20H42Cl2N2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride.

Molecular Properties

Compound NameN,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
PubChem CID3029604
Molecular FormulaC20H42Cl2N2
Molecular Weight381.48 g/mol
Exact Mass380.27
IUPAC NameN,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
SMILESC(CCCCNC1CCCCC1)CCCNC1CCCCC1.Cl.Cl
InChIInChI=1S/C20H40N2.2ClH/c1(3-11-17-21-19-13-7-5-8-14-19)2-4-12-18-22-20-15-9-6-10-16-20;;/h19-22H,1-18H2;2*1H
InChIKeyLBVBXYBGVMKRCT-UHFFFAOYSA-N
XLogP6.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-dodecylcyclohexanamine
CID 3679395
N'-cycloheptylbutane-1,4-diamine
CID 60894157
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
N-cyclohexyl-N'-propan-2-ylhexane-1,6-diamine
CID 69171218
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
N-(7-methyloctyl)cyclooctanamine
CID 29032555
N-(3-cycloheptyloxypropyl)cyclohexanamine
CID 62583654
N-(3-cyclohexyloxypropyl)cyclopentanamine
CID 28720049
N-(5,5-dimethylhexyl)cyclohexanamine
CID 58974848
N-propylcyclohexanamine;hydrochloride
CID 17370003
N-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide
CID 166816734
6-(cyclohexylamino)hexyl formate
CID 87065748

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride?
The IUPAC name of N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride (CID 3029604) is N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride.
What is the SMILES notation for N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride?
The canonical SMILES for N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride is C(CCCCNC1CCCCC1)CCCNC1CCCCC1.Cl.Cl.
What is the InChIKey of N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride?
The InChIKey is LBVBXYBGVMKRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2.2ClH/c1(3-11-17-21-19-13-7-5-8-14-19)2-4-12-18-22-20-15-9-6-10-16-20;;/h19-22H,1-18H2;2*1H.
What are the key properties of N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride?
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride has a molecular weight of 381.48 g/mol, XLogP of 6.02, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride is sourced from PubChem (CID 3029604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).