2-N-(cyclopropylmethyl)-1-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine

C15H32N2 — CID 62568200

IUPAC2-N-(cyclopropylmethyl)-1-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCCCCCNCC(C)N(CC1CC1)C(C)C
InChIInChI=1S/C15H32N2/c1-5-6-7-10-16-11-14(4)17(13(2)3)12-15-8-9-15/h13-16H,5-12H2,1-4H3
InChIKeyOOCKCJUJNBXNLA-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds10

About 2-N-(cyclopropylmethyl)-1-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine

2-N-(cyclopropylmethyl)-1-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine (PubChem CID 62568200) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-1-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-1-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
PubChem CID62568200
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name2-N-(cyclopropylmethyl)-1-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
SMILESCCCCCNCC(C)N(CC1CC1)C(C)C
InChIInChI=1S/C15H32N2/c1-5-6-7-10-16-11-14(4)17(13(2)3)12-15-8-9-15/h13-16H,5-12H2,1-4H3
InChIKeyOOCKCJUJNBXNLA-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N-(cyclopropylmethyl)-1-N-pentyl-2-N-propan-2-ylpropane-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

Related Compounds

4-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-4-N-propan-2-ylpentane-1,4-diamine
CID 62412162
2-N-(cyclopropylmethyl)-1-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62411973
3-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine
CID 62412165
2-N-(cyclohexylmethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 63502062
1-N-butyl-2-N-(cyclopropylmethyl)-2-N-propylpropane-1,2-diamine
CID 62568153
4-N-(cyclopropylmethyl)-1-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
CID 62411804
1-N-butyl-2-N-(cyclobutylmethyl)-2-N-ethylpropane-1,2-diamine
CID 107402162
1-N-butyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568386
2-N-(1-cyclopropylethyl)-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 62568461
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-propylpropane-1,2-diamine
CID 63938140
2-N-cyclohexyl-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 62557476
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-pentylpropane-1,2-diamine
CID 103191810

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-1-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-1-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine (CID 62568200) is 2-N-(cyclopropylmethyl)-1-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-1-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-1-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine is CCCCCNCC(C)N(CC1CC1)C(C)C.
What is the InChIKey of 2-N-(cyclopropylmethyl)-1-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine?
The InChIKey is OOCKCJUJNBXNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-6-7-10-16-11-14(4)17(13(2)3)12-15-8-9-15/h13-16H,5-12H2,1-4H3.
What are the key properties of 2-N-(cyclopropylmethyl)-1-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine?
2-N-(cyclopropylmethyl)-1-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-1-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine is sourced from PubChem (CID 62568200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).