1-N-(2,2-dimethylbutyl)-4-methylpentane-1,3-diamine

C12H28N2 — CID 103462177

IUPAC1-N-(2,2-dimethylbutyl)-4-methylpentane-1,3-diamine
SMILESCCC(C)(C)CNCCC(N)C(C)C
InChIInChI=1S/C12H28N2/c1-6-12(4,5)9-14-8-7-11(13)10(2)3/h10-11,14H,6-9,13H2,1-5H3
InChIKeyZEWQECXSXRGXQL-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.39
Rot. Bonds7

About 1-N-(2,2-dimethylbutyl)-4-methylpentane-1,3-diamine

1-N-(2,2-dimethylbutyl)-4-methylpentane-1,3-diamine (PubChem CID 103462177) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1-N-(2,2-dimethylbutyl)-4-methylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-(2,2-dimethylbutyl)-4-methylpentane-1,3-diamine
PubChem CID103462177
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name1-N-(2,2-dimethylbutyl)-4-methylpentane-1,3-diamine
SMILESCCC(C)(C)CNCCC(N)C(C)C
InChIInChI=1S/C12H28N2/c1-6-12(4,5)9-14-8-7-11(13)10(2)3/h10-11,14H,6-9,13H2,1-5H3
InChIKeyZEWQECXSXRGXQL-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.39
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

1-N-(2,2-dimethylbutyl)butane-1,3-diamine
CID 103462116
1-N-(2,2-dimethylbutyl)hexane-1,5-diamine
CID 103462285
2,2-dimethyl-N-pentylbutan-1-amine
CID 103698372
N-[2-(2,2-dimethylbutylamino)ethyl]-2-methylpropanamide
CID 146594177
2,2-dimethyl-N-(3-methylbutyl)pentan-1-amine
CID 138459549
2-amino-3-(2,2-dimethylbutylamino)propan-1-ol
CID 115121008
5-(2,2-dimethylbutylamino)pentanenitrile
CID 103699023
(2R)-2-[[[(3R,4R)-4-amino-3-methylpentyl]amino]methyl]-2-methylbutan-1-ol
CID 87167758
N-(bromomethyl)-2,2-dimethylbutan-1-amine
CID 115262494
N-(iodomethyl)-2,2-dimethylbutan-1-amine
CID 163962700
2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine
CID 103699635
6-ethyl-2-methyloctane-3,6-diamine
CID 87586167

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-dimethylbutyl)-4-methylpentane-1,3-diamine?
The IUPAC name of 1-N-(2,2-dimethylbutyl)-4-methylpentane-1,3-diamine (CID 103462177) is 1-N-(2,2-dimethylbutyl)-4-methylpentane-1,3-diamine.
What is the SMILES notation for 1-N-(2,2-dimethylbutyl)-4-methylpentane-1,3-diamine?
The canonical SMILES for 1-N-(2,2-dimethylbutyl)-4-methylpentane-1,3-diamine is CCC(C)(C)CNCCC(N)C(C)C.
What is the InChIKey of 1-N-(2,2-dimethylbutyl)-4-methylpentane-1,3-diamine?
The InChIKey is ZEWQECXSXRGXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-6-12(4,5)9-14-8-7-11(13)10(2)3/h10-11,14H,6-9,13H2,1-5H3.
What are the key properties of 1-N-(2,2-dimethylbutyl)-4-methylpentane-1,3-diamine?
1-N-(2,2-dimethylbutyl)-4-methylpentane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-dimethylbutyl)-4-methylpentane-1,3-diamine is sourced from PubChem (CID 103462177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).