N'-cyclobutyl-2-methylpentane-1,5-diamine

C10H22N2 — CID 82682689

IUPACN'-cyclobutyl-2-methylpentane-1,5-diamine
SMILESCC(CN)CCCNC1CCC1
InChIInChI=1S/C10H22N2/c1-9(8-11)4-3-7-12-10-5-2-6-10/h9-10,12H,2-8,11H2,1H3
InChIKeyGNJHYLSBJWCAPM-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.50
Rot. Bonds6

About N'-cyclobutyl-2-methylpentane-1,5-diamine

N'-cyclobutyl-2-methylpentane-1,5-diamine (PubChem CID 82682689) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N'-cyclobutyl-2-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-2-methylpentane-1,5-diamine
PubChem CID82682689
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN'-cyclobutyl-2-methylpentane-1,5-diamine
SMILESCC(CN)CCCNC1CCC1
InChIInChI=1S/C10H22N2/c1-9(8-11)4-3-7-12-10-5-2-6-10/h9-10,12H,2-8,11H2,1H3
InChIKeyGNJHYLSBJWCAPM-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.50
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'-cyclopropyl-2-methylbutane-1,4-diamine
CID 79001550
N,N'-dicyclopropyl-4-methylheptane-1,7-diamine
CID 66322125
N-(5-chloro-4-methylpentyl)cycloheptanamine
CID 106153204
2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol
CID 113340266
N-(4-methylhexyl)cyclopropanamine
CID 62529631
N'-cyclopropyl-3-methyl-N-propan-2-ylhexane-1,6-diamine
CID 66337356
2-methyl-N'-(1-methylpiperidin-3-yl)butane-1,4-diamine
CID 115203024
5-[(4-methylcycloheptyl)amino]pentan-2-ol
CID 106121910
5-[(3-aminocyclohexyl)amino]pentan-2-ol
CID 106121477
N-(7-methyloctyl)cyclooctanamine
CID 29032555
N'-cyclohexylpropane-1,3-diamine;1-N-methylbutane-1,3-diamine
CID 67380436
N-[3-(2-methylpropoxy)propyl]cyclopentanamine
CID 28681533

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-2-methylpentane-1,5-diamine?
The IUPAC name of N'-cyclobutyl-2-methylpentane-1,5-diamine (CID 82682689) is N'-cyclobutyl-2-methylpentane-1,5-diamine.
What is the SMILES notation for N'-cyclobutyl-2-methylpentane-1,5-diamine?
The canonical SMILES for N'-cyclobutyl-2-methylpentane-1,5-diamine is CC(CN)CCCNC1CCC1.
What is the InChIKey of N'-cyclobutyl-2-methylpentane-1,5-diamine?
The InChIKey is GNJHYLSBJWCAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-9(8-11)4-3-7-12-10-5-2-6-10/h9-10,12H,2-8,11H2,1H3.
What are the key properties of N'-cyclobutyl-2-methylpentane-1,5-diamine?
N'-cyclobutyl-2-methylpentane-1,5-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-2-methylpentane-1,5-diamine is sourced from PubChem (CID 82682689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).