1-N,2,2-trimethylpentane-1,3-diamine

C8H20N2 — CID 162525964

IUPAC1-N,2,2-trimethylpentane-1,3-diamine
SMILESCCC(N)C(C)(C)CNC
InChIInChI=1S/C8H20N2/c1-5-7(9)8(2,3)6-10-4/h7,10H,5-6,9H2,1-4H3
InChIKeyRJHGJJVSZAXZDZ-UHFFFAOYSA-N
MW144.26 g/mol
LogP0.97
Rot. Bonds4

About 1-N,2,2-trimethylpentane-1,3-diamine

1-N,2,2-trimethylpentane-1,3-diamine (PubChem CID 162525964) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 1-N,2,2-trimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N,2,2-trimethylpentane-1,3-diamine
PubChem CID162525964
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name1-N,2,2-trimethylpentane-1,3-diamine
SMILESCCC(N)C(C)(C)CNC
InChIInChI=1S/C8H20N2/c1-5-7(9)8(2,3)6-10-4/h7,10H,5-6,9H2,1-4H3
InChIKeyRJHGJJVSZAXZDZ-UHFFFAOYSA-N
XLogP0.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethylhexane-1,4-diamine
CID 116934427
ethane;N,2,2,3-tetramethylbutan-1-amine
CID 142529436
4-amino-3,3-dimethylhexane-1-thiol
CID 166458300
5-amino-4,4-dimethylheptan-2-ol;ethane
CID 170613852
4-ethyl-4-methylhexan-3-amine
CID 163866952
4-fluoro-4-methylhexan-3-amine
CID 167068220
CID 169179164
CID 169179164
2-ethyl-1-N-methylbutane-1,2-diamine
CID 21278322
2-amino-1-(methylamino)propan-2-ol
CID 126635674
(3S)-4-ethyl-4-methylheptan-3-amine
CID 163621922
2-methyl-2-trimethoxysilylpentan-3-amine
CID 87850746
3-aminopentane-1,1,1,2,2-pentol
CID 90384532

Frequently Asked Questions

What is the IUPAC name of 1-N,2,2-trimethylpentane-1,3-diamine?
The IUPAC name of 1-N,2,2-trimethylpentane-1,3-diamine (CID 162525964) is 1-N,2,2-trimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N,2,2-trimethylpentane-1,3-diamine?
The canonical SMILES for 1-N,2,2-trimethylpentane-1,3-diamine is CCC(N)C(C)(C)CNC.
What is the InChIKey of 1-N,2,2-trimethylpentane-1,3-diamine?
The InChIKey is RJHGJJVSZAXZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-5-7(9)8(2,3)6-10-4/h7,10H,5-6,9H2,1-4H3.
What are the key properties of 1-N,2,2-trimethylpentane-1,3-diamine?
1-N,2,2-trimethylpentane-1,3-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2,2-trimethylpentane-1,3-diamine is sourced from PubChem (CID 162525964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).