1-chloropentane;N-methyloctan-1-amine

C14H32ClN — CID 174674151

IUPAC1-chloropentane;N-methyloctan-1-amine
SMILESCCCCCCCCNC.CCCCCCl
InChIInChI=1S/C9H21N.C5H11Cl/c1-3-4-5-6-7-8-9-10-2;1-2-3-4-5-6/h10H,3-9H2,1-2H3;2-5H2,1H3
InChIKeyIHHUYDHFCPRSIZ-UHFFFAOYSA-N
MW249.87 g/mol
LogP4.98
Rot. Bonds10

About 1-chloropentane;N-methyloctan-1-amine

1-chloropentane;N-methyloctan-1-amine (PubChem CID 174674151) has the molecular formula C14H32ClN and a molecular weight of 249.87 g/mol. Its IUPAC name is 1-chloropentane;N-methyloctan-1-amine.

Molecular Properties

Compound Name1-chloropentane;N-methyloctan-1-amine
PubChem CID174674151
Molecular FormulaC14H32ClN
Molecular Weight249.87 g/mol
Exact Mass249.22
IUPAC Name1-chloropentane;N-methyloctan-1-amine
SMILESCCCCCCCCNC.CCCCCCl
InChIInChI=1S/C9H21N.C5H11Cl/c1-3-4-5-6-7-8-9-10-2;1-2-3-4-5-6/h10H,3-9H2,1-2H3;2-5H2,1H3
InChIKeyIHHUYDHFCPRSIZ-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.87
LogP ≤ 54.98
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

7-chloro-N-methylheptan-1-amine
CID 55301648
N-methyltriacontan-1-amine
CID 19840895
N-methyltridecan-1-amine;molecular hydrogen
CID 153363446
1-chloropentane;tetracosane
CID 174427484
1-chloropentane;octacosane
CID 174937871
1-chlorononane
CID 17185
1-chloropentadecane
CID 20996
1-chloropentane;pentadecane
CID 174295582
N-methylheptan-1-amine;molecular hydrogen;propane
CID 144955567
hydroxylamine;N-methyloctan-1-amine
CID 144676839
CID 87162953
CID 87162953
N-methyloctan-1-amine;propan-1-ol
CID 88540071

Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;N-methyloctan-1-amine?
The IUPAC name of 1-chloropentane;N-methyloctan-1-amine (CID 174674151) is 1-chloropentane;N-methyloctan-1-amine.
What is the SMILES notation for 1-chloropentane;N-methyloctan-1-amine?
The canonical SMILES for 1-chloropentane;N-methyloctan-1-amine is CCCCCCCCNC.CCCCCCl.
What is the InChIKey of 1-chloropentane;N-methyloctan-1-amine?
The InChIKey is IHHUYDHFCPRSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C5H11Cl/c1-3-4-5-6-7-8-9-10-2;1-2-3-4-5-6/h10H,3-9H2,1-2H3;2-5H2,1H3.
What are the key properties of 1-chloropentane;N-methyloctan-1-amine?
1-chloropentane;N-methyloctan-1-amine has a molecular weight of 249.87 g/mol, XLogP of 4.98, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;N-methyloctan-1-amine is sourced from PubChem (CID 174674151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).