N-chloro-N-hexylhexan-1-amine

C12H26ClN — CID 18618962

IUPACN-chloro-N-hexylhexan-1-amine
SMILESCCCCCCN(Cl)CCCCCC
InChIInChI=1S/C12H26ClN/c1-3-5-7-9-11-14(13)12-10-8-6-4-2/h3-12H2,1-2H3
InChIKeyYBRZHBAXGAPFMN-UHFFFAOYSA-N
MW219.80 g/mol
LogP4.60
Rot. Bonds10

About N-chloro-N-hexylhexan-1-amine

N-chloro-N-hexylhexan-1-amine (PubChem CID 18618962) has the molecular formula C12H26ClN and a molecular weight of 219.80 g/mol. Its IUPAC name is N-chloro-N-hexylhexan-1-amine.

Molecular Properties

Compound NameN-chloro-N-hexylhexan-1-amine
PubChem CID18618962
Molecular FormulaC12H26ClN
Molecular Weight219.80 g/mol
Exact Mass219.18
IUPAC NameN-chloro-N-hexylhexan-1-amine
SMILESCCCCCCN(Cl)CCCCCC
InChIInChI=1S/C12H26ClN/c1-3-5-7-9-11-14(13)12-10-8-6-4-2/h3-12H2,1-2H3
InChIKeyYBRZHBAXGAPFMN-UHFFFAOYSA-N
XLogP4.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.80
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-chloro-N-octyloctan-1-amine;hydrate
CID 142772534
N-chloro-N-ethyldodecan-1-amine
CID 88640294
chloromethane;N,N-dioctyloctan-1-amine
CID 87084732
N,N-dipentyltridecan-1-amine
CID 139723521
N,N-dipentylpentadecan-1-amine
CID 139722952
N,N-didodecyltridecan-1-amine
CID 87212898
N,N-dioctyloctan-1-amine
CID 14227
N-docosyl-N-icosyldocosan-1-amine
CID 23464225
N,N-dihexyloctan-1-amine
CID 21418080
N,N-dipentylhexadecan-1-amine
CID 139723811
N-pentadecyl-N-pentylpentadecan-1-amine
CID 139722928
N-heptadecyl-N-heptylheptadecan-1-amine
CID 139722683

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-hexylhexan-1-amine?
The IUPAC name of N-chloro-N-hexylhexan-1-amine (CID 18618962) is N-chloro-N-hexylhexan-1-amine.
What is the SMILES notation for N-chloro-N-hexylhexan-1-amine?
The canonical SMILES for N-chloro-N-hexylhexan-1-amine is CCCCCCN(Cl)CCCCCC.
What is the InChIKey of N-chloro-N-hexylhexan-1-amine?
The InChIKey is YBRZHBAXGAPFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26ClN/c1-3-5-7-9-11-14(13)12-10-8-6-4-2/h3-12H2,1-2H3.
What are the key properties of N-chloro-N-hexylhexan-1-amine?
N-chloro-N-hexylhexan-1-amine has a molecular weight of 219.80 g/mol, XLogP of 4.60, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-hexylhexan-1-amine is sourced from PubChem (CID 18618962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).