N,2-dimethylhexan-1-amine

C8H19N — CID 12561343

IUPACN,2-dimethylhexan-1-amine
SMILESCCCCC(C)CNC
InChIInChI=1S/C8H19N/c1-4-5-6-8(2)7-9-3/h8-9H,4-7H2,1-3H3
InChIKeyJINMQTUDKFCYJG-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.03
Rot. Bonds5

About N,2-dimethylhexan-1-amine

N,2-dimethylhexan-1-amine (PubChem CID 12561343) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is N,2-dimethylhexan-1-amine.

Molecular Properties

Compound NameN,2-dimethylhexan-1-amine
PubChem CID12561343
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC NameN,2-dimethylhexan-1-amine
SMILESCCCCC(C)CNC
InChIInChI=1S/C8H19N/c1-4-5-6-8(2)7-9-3/h8-9H,4-7H2,1-3H3
InChIKeyJINMQTUDKFCYJG-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethylhexan-1-amine?
The IUPAC name of N,2-dimethylhexan-1-amine (CID 12561343) is N,2-dimethylhexan-1-amine.
What is the SMILES notation for N,2-dimethylhexan-1-amine?
The canonical SMILES for N,2-dimethylhexan-1-amine is CCCCC(C)CNC.
What is the InChIKey of N,2-dimethylhexan-1-amine?
The InChIKey is JINMQTUDKFCYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N/c1-4-5-6-8(2)7-9-3/h8-9H,4-7H2,1-3H3.
What are the key properties of N,2-dimethylhexan-1-amine?
N,2-dimethylhexan-1-amine has a molecular weight of 129.25 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylhexan-1-amine is sourced from PubChem (CID 12561343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).