N-butyl-2-methylpentane-1,5-diamine

C10H24N2 — CID 104681936

IUPACN-butyl-2-methylpentane-1,5-diamine
SMILESCCCCNCC(C)CCCN
InChIInChI=1S/C10H24N2/c1-3-4-8-12-9-10(2)6-5-7-11/h10,12H,3-9,11H2,1-2H3
InChIKeyOMPYTLLKWKGMKQ-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.75
Rot. Bonds8

About N-butyl-2-methylpentane-1,5-diamine

N-butyl-2-methylpentane-1,5-diamine (PubChem CID 104681936) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is N-butyl-2-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN-butyl-2-methylpentane-1,5-diamine
PubChem CID104681936
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC NameN-butyl-2-methylpentane-1,5-diamine
SMILESCCCCNCC(C)CCCN
InChIInChI=1S/C10H24N2/c1-3-4-8-12-9-10(2)6-5-7-11/h10,12H,3-9,11H2,1-2H3
InChIKeyOMPYTLLKWKGMKQ-UHFFFAOYSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.75
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

2-methyl-N-pentylbutane-1,4-diamine
CID 114987341
2-methyl-N-(3-methylbutyl)pentane-1,5-diamine
CID 146231841
N'-[(2S)-2-methylpentyl]ethane-1,2-diamine
CID 122599067
N,N'-dibutyl-2-methylpropane-1,3-diamine
CID 22075510
3-[(5-amino-2-methylpentyl)amino]propanal
CID 90399797
N-butyl-2-ethylpentane-1,5-diamine
CID 174821174
N-butyl-4-ethoxy-2-methylbutan-1-amine
CID 156824586
N,N'-dibutyl-2,5-dimethylheptane-1,7-diamine;N,N'-diethyl-5-methylnonane-1,9-diamine
CID 21331399
N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
CID 22075501
N'-(3-aminopropyl)-4-methyloctane-1,8-diamine
CID 23599731
N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine
CID 114004218
5-(butylamino)-2-methylpentan-1-ol
CID 106158336

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methylpentane-1,5-diamine?
The IUPAC name of N-butyl-2-methylpentane-1,5-diamine (CID 104681936) is N-butyl-2-methylpentane-1,5-diamine.
What is the SMILES notation for N-butyl-2-methylpentane-1,5-diamine?
The canonical SMILES for N-butyl-2-methylpentane-1,5-diamine is CCCCNCC(C)CCCN.
What is the InChIKey of N-butyl-2-methylpentane-1,5-diamine?
The InChIKey is OMPYTLLKWKGMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-3-4-8-12-9-10(2)6-5-7-11/h10,12H,3-9,11H2,1-2H3.
What are the key properties of N-butyl-2-methylpentane-1,5-diamine?
N-butyl-2-methylpentane-1,5-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methylpentane-1,5-diamine is sourced from PubChem (CID 104681936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).