1-cyclopentyl-N-pentyl-N-propan-2-ylethane-1,2-diamine

C15H32N2 — CID 55034811

IUPAC1-cyclopentyl-N-pentyl-N-propan-2-ylethane-1,2-diamine
SMILESCCCCCN(C(C)C)C(CN)C1CCCC1
InChIInChI=1S/C15H32N2/c1-4-5-8-11-17(13(2)3)15(12-16)14-9-6-7-10-14/h13-15H,4-12,16H2,1-3H3
InChIKeyOLKCFZDJZVOPSD-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.40
Rot. Bonds8

About 1-cyclopentyl-N-pentyl-N-propan-2-ylethane-1,2-diamine

1-cyclopentyl-N-pentyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 55034811) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 1-cyclopentyl-N-pentyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N-pentyl-N-propan-2-ylethane-1,2-diamine
PubChem CID55034811
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name1-cyclopentyl-N-pentyl-N-propan-2-ylethane-1,2-diamine
SMILESCCCCCN(C(C)C)C(CN)C1CCCC1
InChIInChI=1S/C15H32N2/c1-4-5-8-11-17(13(2)3)15(12-16)14-9-6-7-10-14/h13-15H,4-12,16H2,1-3H3
InChIKeyOLKCFZDJZVOPSD-UHFFFAOYSA-N
XLogP3.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.40
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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Related Compounds

1-cyclopentyl-N-ethyl-N-propan-2-ylethane-1,2-diamine
CID 62071412
1-cyclopentyl-N-methyl-N-pentylethane-1,2-diamine
CID 62071758
1-cyclohexyl-N-(2-methylpropyl)-N-propan-2-ylethane-1,2-diamine
CID 55001154
N-butyl-1-cyclopentyl-N-methylethane-1,2-diamine
CID 62070003
N-butan-2-yl-N-butyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62385415
2-methyl-3-N-pentyl-3-N-propan-2-ylbutane-1,3-diamine
CID 79409903
N,N-di(propan-2-yl)heptadecan-1-amine
CID 138744995
1-cyclopropyl-N-methyl-N-octan-2-ylethane-1,2-diamine
CID 116651397
2-cyclopentyl-2-iodoethanamine
CID 134195934
2-cyclopentyloctan-1-amine
CID 112569591
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
1-N-cyclopropyl-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine
CID 83054390

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-pentyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N-pentyl-N-propan-2-ylethane-1,2-diamine (CID 55034811) is 1-cyclopentyl-N-pentyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N-pentyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N-pentyl-N-propan-2-ylethane-1,2-diamine is CCCCCN(C(C)C)C(CN)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-pentyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is OLKCFZDJZVOPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-4-5-8-11-17(13(2)3)15(12-16)14-9-6-7-10-14/h13-15H,4-12,16H2,1-3H3.
What are the key properties of 1-cyclopentyl-N-pentyl-N-propan-2-ylethane-1,2-diamine?
1-cyclopentyl-N-pentyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-pentyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 55034811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).