1-chloropentane;dicyclopropylmethanamine

C12H24ClN — CID 174752462

IUPAC1-chloropentane;dicyclopropylmethanamine
SMILESCCCCCCl.NC(C1CC1)C1CC1
InChIInChI=1S/C7H13N.C5H11Cl/c8-7(5-1-2-5)6-3-4-6;1-2-3-4-5-6/h5-7H,1-4,8H2;2-5H2,1H3
InChIKeyIQHACGSFOJFRJN-UHFFFAOYSA-N
MW217.78 g/mol
LogP3.55
Rot. Bonds5

About 1-chloropentane;dicyclopropylmethanamine

1-chloropentane;dicyclopropylmethanamine (PubChem CID 174752462) has the molecular formula C12H24ClN and a molecular weight of 217.78 g/mol. Its IUPAC name is 1-chloropentane;dicyclopropylmethanamine.

Molecular Properties

Compound Name1-chloropentane;dicyclopropylmethanamine
PubChem CID174752462
Molecular FormulaC12H24ClN
Molecular Weight217.78 g/mol
Exact Mass217.16
IUPAC Name1-chloropentane;dicyclopropylmethanamine
SMILESCCCCCCl.NC(C1CC1)C1CC1
InChIInChI=1S/C7H13N.C5H11Cl/c8-7(5-1-2-5)6-3-4-6;1-2-3-4-5-6/h5-7H,1-4,8H2;2-5H2,1H3
InChIKeyIQHACGSFOJFRJN-UHFFFAOYSA-N
XLogP3.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.78
LogP ≤ 53.55
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

(4-butylcyclohexyl)-cyclopropylmethanamine
CID 104994185
1-chloropentane;2-methylpropane
CID 174338226
1-chloropentane;cyclooctane
CID 174650189
1-chlorononane
CID 17185
1-chloropentadecane
CID 20996
1-chloropentane;tetracosane
CID 174427484
1-chloropentane;octacosane
CID 174937871
1-chloropentane;ethane
CID 175284520
1-chloropentane;pentadecane
CID 174295582
cyclopropyl-(4-propylcyclohexyl)methanamine
CID 65424533
1-chloropentane;ethane-1,2-diamine
CID 174805290
1-chloropentane;2-methylpropane;hydrobromide
CID 174554463

Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;dicyclopropylmethanamine?
The IUPAC name of 1-chloropentane;dicyclopropylmethanamine (CID 174752462) is 1-chloropentane;dicyclopropylmethanamine.
What is the SMILES notation for 1-chloropentane;dicyclopropylmethanamine?
The canonical SMILES for 1-chloropentane;dicyclopropylmethanamine is CCCCCCl.NC(C1CC1)C1CC1.
What is the InChIKey of 1-chloropentane;dicyclopropylmethanamine?
The InChIKey is IQHACGSFOJFRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.C5H11Cl/c8-7(5-1-2-5)6-3-4-6;1-2-3-4-5-6/h5-7H,1-4,8H2;2-5H2,1H3.
What are the key properties of 1-chloropentane;dicyclopropylmethanamine?
1-chloropentane;dicyclopropylmethanamine has a molecular weight of 217.78 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;dicyclopropylmethanamine is sourced from PubChem (CID 174752462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).