N-hexyl-N-(2-methylpropyl)hexan-1-amine

C16H35N — CID 54055603

IUPACN-hexyl-N-(2-methylpropyl)hexan-1-amine
SMILESCCCCCCN(CCCCCC)CC(C)C
InChIInChI=1S/C16H35N/c1-5-7-9-11-13-17(15-16(3)4)14-12-10-8-6-2/h16H,5-15H2,1-4H3
InChIKeyRXUHEGPDBFQIIH-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.11
Rot. Bonds12

About N-hexyl-N-(2-methylpropyl)hexan-1-amine

N-hexyl-N-(2-methylpropyl)hexan-1-amine (PubChem CID 54055603) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is N-hexyl-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound NameN-hexyl-N-(2-methylpropyl)hexan-1-amine
PubChem CID54055603
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC NameN-hexyl-N-(2-methylpropyl)hexan-1-amine
SMILESCCCCCCN(CCCCCC)CC(C)C
InChIInChI=1S/C16H35N/c1-5-7-9-11-13-17(15-16(3)4)14-12-10-8-6-2/h16H,5-15H2,1-4H3
InChIKeyRXUHEGPDBFQIIH-UHFFFAOYSA-N
XLogP5.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-heptyl-N-(2-methylpropyl)octan-1-amine
CID 6425714
N,N-bis(2-methylpropyl)decan-1-amine
CID 11265686
N,N-bis(2-methylpropyl)octan-1-amine
CID 3790364
N,N-bis(2-methylpropyl)dodecan-1-amine
CID 14389650
3-[dodecyl(2-methylpropyl)amino]propanenitrile
CID 63517908
3-[2-methylpropyl(octyl)amino]propanenitrile
CID 63516603
N,N-bis(4-methylpentyl)octadecan-1-amine
CID 139723718
N-hexadecyl-N-(8-methylnonyl)hexadecan-1-amine
CID 139723889
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
CID 139722518
N-butyl-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 58574228
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of N-hexyl-N-(2-methylpropyl)hexan-1-amine (CID 54055603) is N-hexyl-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for N-hexyl-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for N-hexyl-N-(2-methylpropyl)hexan-1-amine is CCCCCCN(CCCCCC)CC(C)C.
What is the InChIKey of N-hexyl-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is RXUHEGPDBFQIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-5-7-9-11-13-17(15-16(3)4)14-12-10-8-6-2/h16H,5-15H2,1-4H3.
What are the key properties of N-hexyl-N-(2-methylpropyl)hexan-1-amine?
N-hexyl-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 5.11, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 54055603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).