1-cyclopropyl-N'-methyl-N'-pentylethane-1,2-diamine

C11H24N2 — CID 63914300

IUPAC1-cyclopropyl-N'-methyl-N'-pentylethane-1,2-diamine
SMILESCCCCCN(C)CC(N)C1CC1
InChIInChI=1S/C11H24N2/c1-3-4-5-8-13(2)9-11(12)10-6-7-10/h10-11H,3-9,12H2,1-2H3
InChIKeyWFCYGPBPQBIDCG-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.85
Rot. Bonds7

About 1-cyclopropyl-N'-methyl-N'-pentylethane-1,2-diamine

1-cyclopropyl-N'-methyl-N'-pentylethane-1,2-diamine (PubChem CID 63914300) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-cyclopropyl-N'-methyl-N'-pentylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N'-methyl-N'-pentylethane-1,2-diamine
PubChem CID63914300
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-cyclopropyl-N'-methyl-N'-pentylethane-1,2-diamine
SMILESCCCCCN(C)CC(N)C1CC1
InChIInChI=1S/C11H24N2/c1-3-4-5-8-13(2)9-11(12)10-6-7-10/h10-11H,3-9,12H2,1-2H3
InChIKeyWFCYGPBPQBIDCG-UHFFFAOYSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N'-methyl-N'-pentylethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N'-methyl-N'-pentylethane-1,2-diamine (CID 63914300) is 1-cyclopropyl-N'-methyl-N'-pentylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N'-methyl-N'-pentylethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N'-methyl-N'-pentylethane-1,2-diamine is CCCCCN(C)CC(N)C1CC1.
What is the InChIKey of 1-cyclopropyl-N'-methyl-N'-pentylethane-1,2-diamine?
The InChIKey is WFCYGPBPQBIDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-4-5-8-13(2)9-11(12)10-6-7-10/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 1-cyclopropyl-N'-methyl-N'-pentylethane-1,2-diamine?
1-cyclopropyl-N'-methyl-N'-pentylethane-1,2-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N'-methyl-N'-pentylethane-1,2-diamine is sourced from PubChem (CID 63914300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).