N,4,4-trimethylhexan-1-amine

C9H21N — CID 123139671

IUPACN,4,4-trimethylhexan-1-amine
SMILESCCC(C)(C)CCCNC
InChIInChI=1S/C9H21N/c1-5-9(2,3)7-6-8-10-4/h10H,5-8H2,1-4H3
InChIKeyMUACTWGTXQFLCK-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.42
Rot. Bonds5

About N,4,4-trimethylhexan-1-amine

N,4,4-trimethylhexan-1-amine (PubChem CID 123139671) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is N,4,4-trimethylhexan-1-amine.

Molecular Properties

Compound NameN,4,4-trimethylhexan-1-amine
PubChem CID123139671
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC NameN,4,4-trimethylhexan-1-amine
SMILESCCC(C)(C)CCCNC
InChIInChI=1S/C9H21N/c1-5-9(2,3)7-6-8-10-4/h10H,5-8H2,1-4H3
InChIKeyMUACTWGTXQFLCK-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethylhexan-1-amine?
The IUPAC name of N,4,4-trimethylhexan-1-amine (CID 123139671) is N,4,4-trimethylhexan-1-amine.
What is the SMILES notation for N,4,4-trimethylhexan-1-amine?
The canonical SMILES for N,4,4-trimethylhexan-1-amine is CCC(C)(C)CCCNC.
What is the InChIKey of N,4,4-trimethylhexan-1-amine?
The InChIKey is MUACTWGTXQFLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-5-9(2,3)7-6-8-10-4/h10H,5-8H2,1-4H3.
What are the key properties of N,4,4-trimethylhexan-1-amine?
N,4,4-trimethylhexan-1-amine has a molecular weight of 143.27 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethylhexan-1-amine is sourced from PubChem (CID 123139671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).