3-methyl-1-N-pentan-2-ylbutane-1,2-diamine

C10H24N2 — CID 107886793

IUPAC3-methyl-1-N-pentan-2-ylbutane-1,2-diamine
SMILESCCCC(C)NCC(N)C(C)C
InChIInChI=1S/C10H24N2/c1-5-6-9(4)12-7-10(11)8(2)3/h8-10,12H,5-7,11H2,1-4H3
InChIKeyVUQCEOUCWNIOAN-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.75
Rot. Bonds6

About 3-methyl-1-N-pentan-2-ylbutane-1,2-diamine

3-methyl-1-N-pentan-2-ylbutane-1,2-diamine (PubChem CID 107886793) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 3-methyl-1-N-pentan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-1-N-pentan-2-ylbutane-1,2-diamine
PubChem CID107886793
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name3-methyl-1-N-pentan-2-ylbutane-1,2-diamine
SMILESCCCC(C)NCC(N)C(C)C
InChIInChI=1S/C10H24N2/c1-5-6-9(4)12-7-10(11)8(2)3/h8-10,12H,5-7,11H2,1-4H3
InChIKeyVUQCEOUCWNIOAN-UHFFFAOYSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

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Related Compounds

N-(2,2-dimethoxyethyl)pentan-2-amine
CID 60816170
1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine
CID 62570127
N-(2-propan-2-ylsulfonylpropyl)pentan-2-amine
CID 106513123
N-[2-(3-methylbutan-2-ylsulfanyl)propyl]pentan-2-amine
CID 107757268
2-methyl-3-(pentan-2-ylamino)propan-1-ol
CID 65031909
N-(2-chlorobutyl)pentan-2-amine
CID 107887575
1-N-hexan-2-ylpropane-1,2-diamine
CID 62201000
methyl 2-hydroxy-3-(pentan-2-ylamino)propanoate
CID 107886724
1-N'-pentan-2-ylethane-1,1-diamine
CID 147485734
1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol
CID 103787947
3-N-(2-ethylpentyl)butane-1,3-diamine
CID 143412123
(2S)-N-(2,3-dimethylbutyl)hexan-2-amine
CID 134386655

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-N-pentan-2-ylbutane-1,2-diamine?
The IUPAC name of 3-methyl-1-N-pentan-2-ylbutane-1,2-diamine (CID 107886793) is 3-methyl-1-N-pentan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 3-methyl-1-N-pentan-2-ylbutane-1,2-diamine?
The canonical SMILES for 3-methyl-1-N-pentan-2-ylbutane-1,2-diamine is CCCC(C)NCC(N)C(C)C.
What is the InChIKey of 3-methyl-1-N-pentan-2-ylbutane-1,2-diamine?
The InChIKey is VUQCEOUCWNIOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-5-6-9(4)12-7-10(11)8(2)3/h8-10,12H,5-7,11H2,1-4H3.
What are the key properties of 3-methyl-1-N-pentan-2-ylbutane-1,2-diamine?
3-methyl-1-N-pentan-2-ylbutane-1,2-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-N-pentan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 107886793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).