3,3-dimethylhexane-1,4-diamine

C8H20N2 — CID 116934427

IUPAC3,3-dimethylhexane-1,4-diamine
SMILESCCC(N)C(C)(C)CCN
InChIInChI=1S/C8H20N2/c1-4-7(10)8(2,3)5-6-9/h7H,4-6,9-10H2,1-3H3
InChIKeyPNNMPCKHRCTCIE-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.10
Rot. Bonds4

About 3,3-dimethylhexane-1,4-diamine

3,3-dimethylhexane-1,4-diamine (PubChem CID 116934427) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 3,3-dimethylhexane-1,4-diamine.

Molecular Properties

Compound Name3,3-dimethylhexane-1,4-diamine
PubChem CID116934427
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name3,3-dimethylhexane-1,4-diamine
SMILESCCC(N)C(C)(C)CCN
InChIInChI=1S/C8H20N2/c1-4-7(10)8(2,3)5-6-9/h7H,4-6,9-10H2,1-3H3
InChIKeyPNNMPCKHRCTCIE-UHFFFAOYSA-N
XLogP1.10
TPSA52.04 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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3,3-dimethylhexane-1-thiol
CID 166458300
1-N,2,2-trimethylpentane-1,3-diamine
CID 162525964
3,3,5-trimethylhexane-1,4-diamine
CID 116934431
ethane;3,3,4-trimethylheptan-1-amine
CID 143679241
5-amino-4,4-dimethylheptan-2-ol;ethane
CID 170613852
4-ethyl-4-methylhexan-3-amine
CID 163866952
(3S)-4-ethyl-4-methylheptan-3-amine
CID 163621922
4,4-dimethylnonan-5-amine
CID 87513740
2-tert-butylsilyloxy-2-methylpentan-3-amine
CID 154428412
2,2-dimethyl-1-phenylbutane-1,4-diamine
CID 116934434
4-fluoro-4-methylhexan-3-amine
CID 167068220
3,3,6,6-tetramethylnonan-5-amine
CID 89328233

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylhexane-1,4-diamine?
The IUPAC name of 3,3-dimethylhexane-1,4-diamine (CID 116934427) is 3,3-dimethylhexane-1,4-diamine.
What is the SMILES notation for 3,3-dimethylhexane-1,4-diamine?
The canonical SMILES for 3,3-dimethylhexane-1,4-diamine is CCC(N)C(C)(C)CCN.
What is the InChIKey of 3,3-dimethylhexane-1,4-diamine?
The InChIKey is PNNMPCKHRCTCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-4-7(10)8(2,3)5-6-9/h7H,4-6,9-10H2,1-3H3.
What are the key properties of 3,3-dimethylhexane-1,4-diamine?
3,3-dimethylhexane-1,4-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylhexane-1,4-diamine is sourced from PubChem (CID 116934427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).