2-methyl-N-pentylbutane-1,4-diamine

C10H24N2 — CID 114987341

IUPAC2-methyl-N-pentylbutane-1,4-diamine
SMILESCCCCCNCC(C)CCN
InChIInChI=1S/C10H24N2/c1-3-4-5-8-12-9-10(2)6-7-11/h10,12H,3-9,11H2,1-2H3
InChIKeyJCDNZPGDYVQWRG-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.75
Rot. Bonds8

About 2-methyl-N-pentylbutane-1,4-diamine

2-methyl-N-pentylbutane-1,4-diamine (PubChem CID 114987341) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 2-methyl-N-pentylbutane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-N-pentylbutane-1,4-diamine
PubChem CID114987341
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name2-methyl-N-pentylbutane-1,4-diamine
SMILESCCCCCNCC(C)CCN
InChIInChI=1S/C10H24N2/c1-3-4-5-8-12-9-10(2)6-7-11/h10,12H,3-9,11H2,1-2H3
InChIKeyJCDNZPGDYVQWRG-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

N-butyl-2-methylpentane-1,5-diamine
CID 104681936
N'-[(2S)-2-methylpentyl]ethane-1,2-diamine
CID 122599067
N-ethyl-2-methylbutane-1,4-diamine
CID 79001608
N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine
CID 114004218
N,N'-dibutyl-2-methylpropane-1,3-diamine
CID 22075510
3-(heptylamino)-2-methylpropan-1-ol
CID 65031965
N,N'-bis(2-aminoethyl)-2-methylpropane-1,3-diamine
CID 22075501
1-(2-aminoethylamino)-3-(dodecylamino)propan-2-ol
CID 155255098
N-(2-methyl-3-methylsulfanylpropyl)nonan-1-amine
CID 63964508
N-(2-methyl-3-methylsulfanylpropyl)decan-1-amine
CID 63964733
6-N-hexylhexane-1,3,6-triamine
CID 87991067
N-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine
CID 144887012

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pentylbutane-1,4-diamine?
The IUPAC name of 2-methyl-N-pentylbutane-1,4-diamine (CID 114987341) is 2-methyl-N-pentylbutane-1,4-diamine.
What is the SMILES notation for 2-methyl-N-pentylbutane-1,4-diamine?
The canonical SMILES for 2-methyl-N-pentylbutane-1,4-diamine is CCCCCNCC(C)CCN.
What is the InChIKey of 2-methyl-N-pentylbutane-1,4-diamine?
The InChIKey is JCDNZPGDYVQWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-3-4-5-8-12-9-10(2)6-7-11/h10,12H,3-9,11H2,1-2H3.
What are the key properties of 2-methyl-N-pentylbutane-1,4-diamine?
2-methyl-N-pentylbutane-1,4-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 2-methyl-N-pentylbutane-1,4-diamine is sourced from PubChem (CID 114987341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).