1,1-dichloro-N,N-dimethyloctan-1-amine

C10H21Cl2N — CID 175456302

IUPAC1,1-dichloro-N,N-dimethyloctan-1-amine
SMILESCCCCCCCC(Cl)(Cl)N(C)C
InChIInChI=1S/C10H21Cl2N/c1-4-5-6-7-8-9-10(11,12)13(2)3/h4-9H2,1-3H3
InChIKeyVJYTUEZDBMPWPW-UHFFFAOYSA-N
MW226.19 g/mol
LogP4.04
Rot. Bonds7

About 1,1-dichloro-N,N-dimethyloctan-1-amine

1,1-dichloro-N,N-dimethyloctan-1-amine (PubChem CID 175456302) has the molecular formula C10H21Cl2N and a molecular weight of 226.19 g/mol. Its IUPAC name is 1,1-dichloro-N,N-dimethyloctan-1-amine.

Molecular Properties

Compound Name1,1-dichloro-N,N-dimethyloctan-1-amine
PubChem CID175456302
Molecular FormulaC10H21Cl2N
Molecular Weight226.19 g/mol
Exact Mass225.11
IUPAC Name1,1-dichloro-N,N-dimethyloctan-1-amine
SMILESCCCCCCCC(Cl)(Cl)N(C)C
InChIInChI=1S/C10H21Cl2N/c1-4-5-6-7-8-9-10(11,12)13(2)3/h4-9H2,1-3H3
InChIKeyVJYTUEZDBMPWPW-UHFFFAOYSA-N
XLogP4.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 54.04
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

N,N-dimethyl-11-pentylhenicosan-11-amine
CID 175528933
11-chloro-11-decylpentacosane
CID 19690403
7-chloro-7-hexylheptadecane
CID 141000501
1,1,1-trichlorononane
CID 6420387
11-chloro-11-nonylhenicosane
CID 154304707
7-hexyl-N,N-dimethylhexadecan-7-amine;hydrochloride
CID 173284262
2-chloro-2-methylheptadecane
CID 19869804
N,N-dimethyl-6-pentylundecan-6-amine
CID 170848103
azane;12-chloro-12-undecyltetracosane
CID 88840214
5,5-dichlorododecane
CID 90767172
N,N,2-trimethyltridecan-2-amine;hydrochloride
CID 175023190
azane;2-chloro-2-methyltridecane
CID 87093642

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-N,N-dimethyloctan-1-amine?
The IUPAC name of 1,1-dichloro-N,N-dimethyloctan-1-amine (CID 175456302) is 1,1-dichloro-N,N-dimethyloctan-1-amine.
What is the SMILES notation for 1,1-dichloro-N,N-dimethyloctan-1-amine?
The canonical SMILES for 1,1-dichloro-N,N-dimethyloctan-1-amine is CCCCCCCC(Cl)(Cl)N(C)C.
What is the InChIKey of 1,1-dichloro-N,N-dimethyloctan-1-amine?
The InChIKey is VJYTUEZDBMPWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21Cl2N/c1-4-5-6-7-8-9-10(11,12)13(2)3/h4-9H2,1-3H3.
What are the key properties of 1,1-dichloro-N,N-dimethyloctan-1-amine?
1,1-dichloro-N,N-dimethyloctan-1-amine has a molecular weight of 226.19 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-N,N-dimethyloctan-1-amine is sourced from PubChem (CID 175456302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).