N,4-dimethylhexan-3-amine

C8H19N — CID 63559808

IUPACN,4-dimethylhexan-3-amine
SMILESCCC(C)C(CC)NC
InChIInChI=1S/C8H19N/c1-5-7(3)8(6-2)9-4/h7-9H,5-6H2,1-4H3
InChIKeyYEWGDTAMQNBZON-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.03
Rot. Bonds4

About N,4-dimethylhexan-3-amine

N,4-dimethylhexan-3-amine (PubChem CID 63559808) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is N,4-dimethylhexan-3-amine.

Molecular Properties

Compound NameN,4-dimethylhexan-3-amine
PubChem CID63559808
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC NameN,4-dimethylhexan-3-amine
SMILESCCC(C)C(CC)NC
InChIInChI=1S/C8H19N/c1-5-7(3)8(6-2)9-4/h7-9H,5-6H2,1-4H3
InChIKeyYEWGDTAMQNBZON-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethylhexan-3-amine?
The IUPAC name of N,4-dimethylhexan-3-amine (CID 63559808) is N,4-dimethylhexan-3-amine.
What is the SMILES notation for N,4-dimethylhexan-3-amine?
The canonical SMILES for N,4-dimethylhexan-3-amine is CCC(C)C(CC)NC.
What is the InChIKey of N,4-dimethylhexan-3-amine?
The InChIKey is YEWGDTAMQNBZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N/c1-5-7(3)8(6-2)9-4/h7-9H,5-6H2,1-4H3.
What are the key properties of N,4-dimethylhexan-3-amine?
N,4-dimethylhexan-3-amine has a molecular weight of 129.25 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylhexan-3-amine is sourced from PubChem (CID 63559808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).