N-benzyl-12-chlorododecan-1-amine

C19H32ClN — CID 175007443

IUPACN-benzyl-12-chlorododecan-1-amine
SMILESClCCCCCCCCCCCCNCc1ccccc1
InChIInChI=1S/C19H32ClN/c20-16-12-7-5-3-1-2-4-6-8-13-17-21-18-19-14-10-9-11-15-19/h9-11,14-15,21H,1-8,12-13,16-18H2
InChIKeyLRPXUIRICFWICV-UHFFFAOYSA-N
MW309.92 g/mol
LogP5.92
Rot. Bonds14

About N-benzyl-12-chlorododecan-1-amine

N-benzyl-12-chlorododecan-1-amine (PubChem CID 175007443) has the molecular formula C19H32ClN and a molecular weight of 309.92 g/mol. Its IUPAC name is N-benzyl-12-chlorododecan-1-amine.

Molecular Properties

Compound NameN-benzyl-12-chlorododecan-1-amine
PubChem CID175007443
Molecular FormulaC19H32ClN
Molecular Weight309.92 g/mol
Exact Mass309.22
IUPAC NameN-benzyl-12-chlorododecan-1-amine
SMILESClCCCCCCCCCCCCNCc1ccccc1
InChIInChI=1S/C19H32ClN/c20-16-12-7-5-3-1-2-4-6-8-13-17-21-18-19-14-10-9-11-15-19/h9-11,14-15,21H,1-8,12-13,16-18H2
InChIKeyLRPXUIRICFWICV-UHFFFAOYSA-N
XLogP5.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.92
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 14086599
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine
CID 57123635
N'-benzylheptane-1,7-diamine
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CID 106844243
N'-benzyldodecane-1,12-diamine
CID 10589617
N-benzyl-5-silylpentan-1-amine
CID 123625500
6-chloro-N-[(3-methylphenyl)methyl]hexan-1-amine
CID 107845610
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]octane-1,8-diamine
CID 67649302
N-benzyltridecan-1-amine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-12-chlorododecan-1-amine?
The IUPAC name of N-benzyl-12-chlorododecan-1-amine (CID 175007443) is N-benzyl-12-chlorododecan-1-amine.
What is the SMILES notation for N-benzyl-12-chlorododecan-1-amine?
The canonical SMILES for N-benzyl-12-chlorododecan-1-amine is ClCCCCCCCCCCCCNCc1ccccc1.
What is the InChIKey of N-benzyl-12-chlorododecan-1-amine?
The InChIKey is LRPXUIRICFWICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32ClN/c20-16-12-7-5-3-1-2-4-6-8-13-17-21-18-19-14-10-9-11-15-19/h9-11,14-15,21H,1-8,12-13,16-18H2.
What are the key properties of N-benzyl-12-chlorododecan-1-amine?
N-benzyl-12-chlorododecan-1-amine has a molecular weight of 309.92 g/mol, XLogP of 5.92, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-12-chlorododecan-1-amine is sourced from PubChem (CID 175007443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).