4-methyl-2-N-propan-2-ylpentane-1,2-diamine

C9H22N2 — CID 62066978

IUPAC4-methyl-2-N-propan-2-ylpentane-1,2-diamine
SMILESCC(C)CC(CN)NC(C)C
InChIInChI=1S/C9H22N2/c1-7(2)5-9(6-10)11-8(3)4/h7-9,11H,5-6,10H2,1-4H3
InChIKeyQHOKSPHGXSVVEZ-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.36
Rot. Bonds5

About 4-methyl-2-N-propan-2-ylpentane-1,2-diamine

4-methyl-2-N-propan-2-ylpentane-1,2-diamine (PubChem CID 62066978) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 4-methyl-2-N-propan-2-ylpentane-1,2-diamine.

Molecular Properties

Compound Name4-methyl-2-N-propan-2-ylpentane-1,2-diamine
PubChem CID62066978
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name4-methyl-2-N-propan-2-ylpentane-1,2-diamine
SMILESCC(C)CC(CN)NC(C)C
InChIInChI=1S/C9H22N2/c1-7(2)5-9(6-10)11-8(3)4/h7-9,11H,5-6,10H2,1-4H3
InChIKeyQHOKSPHGXSVVEZ-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-fluoro-4-methyl-N-propan-2-ylpentan-2-amine
CID 168776227
5-methyl-N-propan-2-ylhexan-3-amine
CID 91577659
2-N-fluoro-4-methylpentane-1,2-diamine
CID 123548414
1-chloro-4-methyl-N-propan-2-ylpentan-2-amine
CID 65025885
(2R)-4-methyl-2-N-[(1S)-1-phenylethyl]pentane-1,2-diamine
CID 52908228
6-methyl-N-propan-2-ylhept-1-en-4-amine
CID 129015544
2-N-propan-2-ylhexane-1,2-diamine
CID 62070850
(1-amino-4-methylpentan-2-yl)carbamic acid
CID 19820731
ethyl N-[(2S)-1-amino-4-methylpentan-2-yl]carbamate
CID 39869686
ethyl N-(1-amino-4-methylpentan-2-yl)carbamate
CID 43810663
N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 63755259
N-(1-amino-4-methylpentan-2-yl)cyclohexanecarboxamide;hydrochloride
CID 119260890

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-propan-2-ylpentane-1,2-diamine?
The IUPAC name of 4-methyl-2-N-propan-2-ylpentane-1,2-diamine (CID 62066978) is 4-methyl-2-N-propan-2-ylpentane-1,2-diamine.
What is the SMILES notation for 4-methyl-2-N-propan-2-ylpentane-1,2-diamine?
The canonical SMILES for 4-methyl-2-N-propan-2-ylpentane-1,2-diamine is CC(C)CC(CN)NC(C)C.
What is the InChIKey of 4-methyl-2-N-propan-2-ylpentane-1,2-diamine?
The InChIKey is QHOKSPHGXSVVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-7(2)5-9(6-10)11-8(3)4/h7-9,11H,5-6,10H2,1-4H3.
What are the key properties of 4-methyl-2-N-propan-2-ylpentane-1,2-diamine?
4-methyl-2-N-propan-2-ylpentane-1,2-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-propan-2-ylpentane-1,2-diamine is sourced from PubChem (CID 62066978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).