4,5-dimethylhexan-1-amine

C8H19N — CID 55283993

IUPAC4,5-dimethylhexan-1-amine
SMILESCC(C)C(C)CCCN
InChIInChI=1S/C8H19N/c1-7(2)8(3)5-4-6-9/h7-8H,4-6,9H2,1-3H3
InChIKeyHTQJGGGPLKSZKR-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.02
Rot. Bonds4

About 4,5-dimethylhexan-1-amine

4,5-dimethylhexan-1-amine (PubChem CID 55283993) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is 4,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name4,5-dimethylhexan-1-amine
PubChem CID55283993
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name4,5-dimethylhexan-1-amine
SMILESCC(C)C(C)CCCN
InChIInChI=1S/C8H19N/c1-7(2)8(3)5-4-6-9/h7-8H,4-6,9H2,1-3H3
InChIKeyHTQJGGGPLKSZKR-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,7R)-2,3,7,8-tetramethylnonane
CID 153439349
3,8,9-trimethyldecan-1-amine
CID 155084510
N'-(3,4-dimethylpentyl)ethane-1,2-diamine
CID 156651247
3,4-dimethyldecane-1,10-diamine
CID 118234620
2-methyldecane-1,1,10-triamine
CID 175230718
(3R)-7-amino-3-methylheptan-2-ol
CID 126613359
(3R)-2,3-dimethylheptane;ethane
CID 163241846
alumane;2,3-dimethylheptane
CID 174508099
2,3-dimethylheptane;ethane
CID 156648444
(2S,3S)-2,6-diamino-3-methylhexanoic acid
CID 147560820
4-N-(3-aminopropyl)-5-methyloctane-1,4,8-triamine
CID 20755632
4-propan-2-yloctan-1-amine
CID 126657786

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylhexan-1-amine?
The IUPAC name of 4,5-dimethylhexan-1-amine (CID 55283993) is 4,5-dimethylhexan-1-amine.
What is the SMILES notation for 4,5-dimethylhexan-1-amine?
The canonical SMILES for 4,5-dimethylhexan-1-amine is CC(C)C(C)CCCN.
What is the InChIKey of 4,5-dimethylhexan-1-amine?
The InChIKey is HTQJGGGPLKSZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N/c1-7(2)8(3)5-4-6-9/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 4,5-dimethylhexan-1-amine?
4,5-dimethylhexan-1-amine has a molecular weight of 129.25 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylhexan-1-amine is sourced from PubChem (CID 55283993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).