2-methyl-N-(2-methylpropyl)butane-1,4-diamine

C9H22N2 — CID 79001587

IUPAC2-methyl-N-(2-methylpropyl)butane-1,4-diamine
SMILESCC(C)CNCC(C)CCN
InChIInChI=1S/C9H22N2/c1-8(2)6-11-7-9(3)4-5-10/h8-9,11H,4-7,10H2,1-3H3
InChIKeyGPXVVFQSUGFSJS-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.22
Rot. Bonds6

About 2-methyl-N-(2-methylpropyl)butane-1,4-diamine

2-methyl-N-(2-methylpropyl)butane-1,4-diamine (PubChem CID 79001587) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)butane-1,4-diamine
PubChem CID79001587
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name2-methyl-N-(2-methylpropyl)butane-1,4-diamine
SMILESCC(C)CNCC(C)CCN
InChIInChI=1S/C9H22N2/c1-8(2)6-11-7-9(3)4-5-10/h8-9,11H,4-7,10H2,1-3H3
InChIKeyGPXVVFQSUGFSJS-UHFFFAOYSA-N
XLogP1.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methylbutane-1,4-diamine
CID 79001608
CID 175939227
CID 175939227
N-(2,5-dimethylhexyl)-2,5-dimethylhexan-1-amine
CID 19083274
2-methyl-N-pentylbutane-1,4-diamine
CID 114987341
N-(3-amino-3-methylbutyl)-2-methylbutane-1,4-diamine
CID 144887012
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
2-methyl-N-(2,2,3,3-tetrafluoropropyl)butane-1,4-diamine
CID 106293654
2-methyl-N-(2-methylpropyl)-4-propoxybutan-1-amine
CID 79568932
2-methyl-N-(3-methylbutyl)pentane-1,5-diamine
CID 146231841
2-methyl-N-[(4-methylthiophen-3-yl)methyl]butane-1,4-diamine
CID 80544239
N'-[(2S)-2-methylpentyl]ethane-1,2-diamine
CID 122599067
2-methyl-N-(2,3,3-trimethylbutyl)pentane-1,5-diamine
CID 104682386

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)butane-1,4-diamine?
The IUPAC name of 2-methyl-N-(2-methylpropyl)butane-1,4-diamine (CID 79001587) is 2-methyl-N-(2-methylpropyl)butane-1,4-diamine.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)butane-1,4-diamine?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)butane-1,4-diamine is CC(C)CNCC(C)CCN.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)butane-1,4-diamine?
The InChIKey is GPXVVFQSUGFSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-8(2)6-11-7-9(3)4-5-10/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 2-methyl-N-(2-methylpropyl)butane-1,4-diamine?
2-methyl-N-(2-methylpropyl)butane-1,4-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)butane-1,4-diamine is sourced from PubChem (CID 79001587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).