N-(chloromethyl)-N-(2-methylbutyl)decan-1-amine

C16H34ClN — CID 167141419

IUPACN-(chloromethyl)-N-(2-methylbutyl)decan-1-amine
SMILESCCCCCCCCCCN(CCl)CC(C)CC
InChIInChI=1S/C16H34ClN/c1-4-6-7-8-9-10-11-12-13-18(15-17)14-16(3)5-2/h16H,4-15H2,1-3H3
InChIKeyQMXAXASIKMLYHY-UHFFFAOYSA-N
MW275.91 g/mol
LogP5.67
Rot. Bonds13

About N-(chloromethyl)-N-(2-methylbutyl)decan-1-amine

N-(chloromethyl)-N-(2-methylbutyl)decan-1-amine (PubChem CID 167141419) has the molecular formula C16H34ClN and a molecular weight of 275.91 g/mol. Its IUPAC name is N-(chloromethyl)-N-(2-methylbutyl)decan-1-amine.

Molecular Properties

Compound NameN-(chloromethyl)-N-(2-methylbutyl)decan-1-amine
PubChem CID167141419
Molecular FormulaC16H34ClN
Molecular Weight275.91 g/mol
Exact Mass275.24
IUPAC NameN-(chloromethyl)-N-(2-methylbutyl)decan-1-amine
SMILESCCCCCCCCCCN(CCl)CC(C)CC
InChIInChI=1S/C16H34ClN/c1-4-6-7-8-9-10-11-12-13-18(15-17)14-16(3)5-2/h16H,4-15H2,1-3H3
InChIKeyQMXAXASIKMLYHY-UHFFFAOYSA-N
XLogP5.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.91
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-[chloromethyl(octadecyl)amino]ethane-1,1-diol
CID 174867707
N-butyl-N-(7-methylnonyl)tetradecan-1-amine
CID 172562236
N-hexyl-N-(2-methylpropyl)hexan-1-amine
CID 54055603
N,N-bis(2-methylpropyl)octan-1-amine
CID 3790364
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
chloromethane;N,N-dioctyloctan-1-amine
CID 87084732
13-methyl-N,N-di(tetradecyl)tetradecan-1-amine
CID 139722739
N,N-bis(4-methylpentyl)nonan-1-amine
CID 139723744
N,N-didodecyl-16-methylheptadecan-1-amine
CID 139723359
N,N-bis(10-methylundecyl)hexadecan-1-amine
CID 139723319

Frequently Asked Questions

What is the IUPAC name of N-(chloromethyl)-N-(2-methylbutyl)decan-1-amine?
The IUPAC name of N-(chloromethyl)-N-(2-methylbutyl)decan-1-amine (CID 167141419) is N-(chloromethyl)-N-(2-methylbutyl)decan-1-amine.
What is the SMILES notation for N-(chloromethyl)-N-(2-methylbutyl)decan-1-amine?
The canonical SMILES for N-(chloromethyl)-N-(2-methylbutyl)decan-1-amine is CCCCCCCCCCN(CCl)CC(C)CC.
What is the InChIKey of N-(chloromethyl)-N-(2-methylbutyl)decan-1-amine?
The InChIKey is QMXAXASIKMLYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34ClN/c1-4-6-7-8-9-10-11-12-13-18(15-17)14-16(3)5-2/h16H,4-15H2,1-3H3.
What are the key properties of N-(chloromethyl)-N-(2-methylbutyl)decan-1-amine?
N-(chloromethyl)-N-(2-methylbutyl)decan-1-amine has a molecular weight of 275.91 g/mol, XLogP of 5.67, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(chloromethyl)-N-(2-methylbutyl)decan-1-amine is sourced from PubChem (CID 167141419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).