N,N-bis(2-methylpropyl)octan-1-amine

C16H35N — CID 3790364

IUPACN,N-bis(2-methylpropyl)octan-1-amine
SMILESCCCCCCCCN(CC(C)C)CC(C)C
InChIInChI=1S/C16H35N/c1-6-7-8-9-10-11-12-17(13-15(2)3)14-16(4)5/h15-16H,6-14H2,1-5H3
InChIKeyOTKWIYYKRDVPGX-UHFFFAOYSA-N
MW241.46 g/mol
LogP4.96
Rot. Bonds11

About N,N-bis(2-methylpropyl)octan-1-amine

N,N-bis(2-methylpropyl)octan-1-amine (PubChem CID 3790364) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)octan-1-amine.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)octan-1-amine
PubChem CID3790364
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC NameN,N-bis(2-methylpropyl)octan-1-amine
SMILESCCCCCCCCN(CC(C)C)CC(C)C
InChIInChI=1S/C16H35N/c1-6-7-8-9-10-11-12-17(13-15(2)3)14-16(4)5/h15-16H,6-14H2,1-5H3
InChIKeyOTKWIYYKRDVPGX-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 54.96
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,N-bis(2-methylpropyl)dodecan-1-amine
CID 14389650
N,N-bis(2-methylpropyl)decan-1-amine
CID 11265686
N-heptyl-N-(2-methylpropyl)octan-1-amine
CID 6425714
N-hexyl-N-(2-methylpropyl)hexan-1-amine
CID 54055603
11-methyl-N-(11-methyldodecyl)-N-pentyldodecan-1-amine
CID 139722518
N-heptadecyl-N-(11-methyldodecyl)heptadecan-1-amine
CID 139723018
N,N-di(heptadecyl)-16-methylheptadecan-1-amine
CID 139722751
13-methyl-N-(13-methyltetradecyl)-N-tetradecyltetradecan-1-amine
CID 139723818
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
N-heptyl-N-(3-methylbutyl)heptan-1-amine
CID 139723381

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)octan-1-amine?
The IUPAC name of N,N-bis(2-methylpropyl)octan-1-amine (CID 3790364) is N,N-bis(2-methylpropyl)octan-1-amine.
What is the SMILES notation for N,N-bis(2-methylpropyl)octan-1-amine?
The canonical SMILES for N,N-bis(2-methylpropyl)octan-1-amine is CCCCCCCCN(CC(C)C)CC(C)C.
What is the InChIKey of N,N-bis(2-methylpropyl)octan-1-amine?
The InChIKey is OTKWIYYKRDVPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-6-7-8-9-10-11-12-17(13-15(2)3)14-16(4)5/h15-16H,6-14H2,1-5H3.
What are the key properties of N,N-bis(2-methylpropyl)octan-1-amine?
N,N-bis(2-methylpropyl)octan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 4.96, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)octan-1-amine is sourced from PubChem (CID 3790364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).