N-(4-chloropentyl)nonan-1-amine

C14H30ClN — CID 106121562

IUPACN-(4-chloropentyl)nonan-1-amine
SMILESCCCCCCCCCNCCCC(C)Cl
InChIInChI=1S/C14H30ClN/c1-3-4-5-6-7-8-9-12-16-13-10-11-14(2)15/h14,16H,3-13H2,1-2H3
InChIKeyZWSLZMGYCIEEAW-UHFFFAOYSA-N
MW247.85 g/mol
LogP4.73
Rot. Bonds12

About N-(4-chloropentyl)nonan-1-amine

N-(4-chloropentyl)nonan-1-amine (PubChem CID 106121562) has the molecular formula C14H30ClN and a molecular weight of 247.85 g/mol. Its IUPAC name is N-(4-chloropentyl)nonan-1-amine.

Molecular Properties

Compound NameN-(4-chloropentyl)nonan-1-amine
PubChem CID106121562
Molecular FormulaC14H30ClN
Molecular Weight247.85 g/mol
Exact Mass247.21
IUPAC NameN-(4-chloropentyl)nonan-1-amine
SMILESCCCCCCCCCNCCCC(C)Cl
InChIInChI=1S/C14H30ClN/c1-3-4-5-6-7-8-9-12-16-13-10-11-14(2)15/h14,16H,3-13H2,1-2H3
InChIKeyZWSLZMGYCIEEAW-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.85
LogP ≤ 54.73
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

N-(4-methylpentyl)tetradecan-1-amine
CID 143841581
N-butyl-3-chlorobutan-1-amine
CID 65025010
azane;2-chloropentadecane
CID 88746937
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-(3-methylbutyl)heptan-1-amine
CID 22348867
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
N-docosyldocosan-1-amine;hydrochloride
CID 173181498

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)nonan-1-amine?
The IUPAC name of N-(4-chloropentyl)nonan-1-amine (CID 106121562) is N-(4-chloropentyl)nonan-1-amine.
What is the SMILES notation for N-(4-chloropentyl)nonan-1-amine?
The canonical SMILES for N-(4-chloropentyl)nonan-1-amine is CCCCCCCCCNCCCC(C)Cl.
What is the InChIKey of N-(4-chloropentyl)nonan-1-amine?
The InChIKey is ZWSLZMGYCIEEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30ClN/c1-3-4-5-6-7-8-9-12-16-13-10-11-14(2)15/h14,16H,3-13H2,1-2H3.
What are the key properties of N-(4-chloropentyl)nonan-1-amine?
N-(4-chloropentyl)nonan-1-amine has a molecular weight of 247.85 g/mol, XLogP of 4.73, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)nonan-1-amine is sourced from PubChem (CID 106121562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).