2-N-(1-cyclopropylethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine

C14H30N2 — CID 62568461

IUPAC2-N-(1-cyclopropylethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine
SMILESCCCCCNCC(C)N(C)C(C)C1CC1
InChIInChI=1S/C14H30N2/c1-5-6-7-10-15-11-12(2)16(4)13(3)14-8-9-14/h12-15H,5-11H2,1-4H3
InChIKeyYAASXGNYFFEUNV-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds9

About 2-N-(1-cyclopropylethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine

2-N-(1-cyclopropylethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine (PubChem CID 62568461) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2-N-(1-cyclopropylethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(1-cyclopropylethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine
PubChem CID62568461
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2-N-(1-cyclopropylethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine
SMILESCCCCCNCC(C)N(C)C(C)C1CC1
InChIInChI=1S/C14H30N2/c1-5-6-7-10-15-11-12(2)16(4)13(3)14-8-9-14/h12-15H,5-11H2,1-4H3
InChIKeyYAASXGNYFFEUNV-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N-(1-cyclopropylethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclopropylethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine?
The IUPAC name of 2-N-(1-cyclopropylethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine (CID 62568461) is 2-N-(1-cyclopropylethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(1-cyclopropylethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine?
The canonical SMILES for 2-N-(1-cyclopropylethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine is CCCCCNCC(C)N(C)C(C)C1CC1.
What is the InChIKey of 2-N-(1-cyclopropylethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine?
The InChIKey is YAASXGNYFFEUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-6-7-10-15-11-12(2)16(4)13(3)14-8-9-14/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-N-(1-cyclopropylethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine?
2-N-(1-cyclopropylethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclopropylethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine is sourced from PubChem (CID 62568461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).