1-chloro-4-methylundecan-5-amine

C12H26ClN — CID 19775765

IUPAC1-chloro-4-methylundecan-5-amine
SMILESCCCCCCC(N)C(C)CCCCl
InChIInChI=1S/C12H26ClN/c1-3-4-5-6-9-12(14)11(2)8-7-10-13/h11-12H,3-10,14H2,1-2H3
InChIKeyRVCOUPGMOANWSD-UHFFFAOYSA-N
MW219.80 g/mol
LogP3.94
Rot. Bonds9

About 1-chloro-4-methylundecan-5-amine

1-chloro-4-methylundecan-5-amine (PubChem CID 19775765) has the molecular formula C12H26ClN and a molecular weight of 219.80 g/mol. Its IUPAC name is 1-chloro-4-methylundecan-5-amine.

Molecular Properties

Compound Name1-chloro-4-methylundecan-5-amine
PubChem CID19775765
Molecular FormulaC12H26ClN
Molecular Weight219.80 g/mol
Exact Mass219.18
IUPAC Name1-chloro-4-methylundecan-5-amine
SMILESCCCCCCC(N)C(C)CCCCl
InChIInChI=1S/C12H26ClN/c1-3-4-5-6-9-12(14)11(2)8-7-10-13/h11-12H,3-10,14H2,1-2H3
InChIKeyRVCOUPGMOANWSD-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.80
LogP ≤ 53.94
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methylundecan-5-amine?
The IUPAC name of 1-chloro-4-methylundecan-5-amine (CID 19775765) is 1-chloro-4-methylundecan-5-amine.
What is the SMILES notation for 1-chloro-4-methylundecan-5-amine?
The canonical SMILES for 1-chloro-4-methylundecan-5-amine is CCCCCCC(N)C(C)CCCCl.
What is the InChIKey of 1-chloro-4-methylundecan-5-amine?
The InChIKey is RVCOUPGMOANWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26ClN/c1-3-4-5-6-9-12(14)11(2)8-7-10-13/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 1-chloro-4-methylundecan-5-amine?
1-chloro-4-methylundecan-5-amine has a molecular weight of 219.80 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methylundecan-5-amine is sourced from PubChem (CID 19775765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).