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

C18H39N — CID 11265686

IUPACN,N-bis(2-methylpropyl)decan-1-amine
SMILESCCCCCCCCCCN(CC(C)C)CC(C)C
InChIInChI=1S/C18H39N/c1-6-7-8-9-10-11-12-13-14-19(15-17(2)3)16-18(4)5/h17-18H,6-16H2,1-5H3
InChIKeyUVWQWGHTMUBHJQ-UHFFFAOYSA-N
MW269.52 g/mol
LogP5.74
Rot. Bonds13

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

N,N-bis(2-methylpropyl)decan-1-amine (PubChem CID 11265686) has the molecular formula C18H39N and a molecular weight of 269.52 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)decan-1-amine.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)decan-1-amine
PubChem CID11265686
Molecular FormulaC18H39N
Molecular Weight269.52 g/mol
Exact Mass269.31
IUPAC NameN,N-bis(2-methylpropyl)decan-1-amine
SMILESCCCCCCCCCCN(CC(C)C)CC(C)C
InChIInChI=1S/C18H39N/c1-6-7-8-9-10-11-12-13-14-19(15-17(2)3)16-18(4)5/h17-18H,6-16H2,1-5H3
InChIKeyUVWQWGHTMUBHJQ-UHFFFAOYSA-N
XLogP5.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.52
LogP ≤ 55.74
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)octan-1-amine
CID 3790364
N,N-bis(2-methylpropyl)dodecan-1-amine
CID 14389650
N-hexyl-N-(2-methylpropyl)hexan-1-amine
CID 54055603
N-heptyl-N-(2-methylpropyl)octan-1-amine
CID 6425714
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
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
15-methyl-N,N-di(pentadecyl)hexadecan-1-amine
CID 139722859
N-(9-methyldecyl)-N-octadecyloctadecan-1-amine
CID 139722861
N-heptyl-N-(3-methylbutyl)heptan-1-amine
CID 139723381
N,N-bis(12-methyltridecyl)heptadecan-1-amine
CID 139722647

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)decan-1-amine?
The IUPAC name of N,N-bis(2-methylpropyl)decan-1-amine (CID 11265686) is N,N-bis(2-methylpropyl)decan-1-amine.
What is the SMILES notation for N,N-bis(2-methylpropyl)decan-1-amine?
The canonical SMILES for N,N-bis(2-methylpropyl)decan-1-amine is CCCCCCCCCCN(CC(C)C)CC(C)C.
What is the InChIKey of N,N-bis(2-methylpropyl)decan-1-amine?
The InChIKey is UVWQWGHTMUBHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N/c1-6-7-8-9-10-11-12-13-14-19(15-17(2)3)16-18(4)5/h17-18H,6-16H2,1-5H3.
What are the key properties of N,N-bis(2-methylpropyl)decan-1-amine?
N,N-bis(2-methylpropyl)decan-1-amine has a molecular weight of 269.52 g/mol, XLogP of 5.74, 13 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)decan-1-amine is sourced from PubChem (CID 11265686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).