N-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-1,2-diamine

C15H33N3 — CID 62555037

IUPACN-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCCCN(CCNCCN(CC)CC)C1CC1
InChIInChI=1S/C15H33N3/c1-4-7-12-18(15-8-9-15)14-11-16-10-13-17(5-2)6-3/h15-16H,4-14H2,1-3H3
InChIKeyFROIUJAUUMGBFS-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.18
Rot. Bonds12

About N-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-1,2-diamine

N-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-1,2-diamine (PubChem CID 62555037) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-1,2-diamine
PubChem CID62555037
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-1,2-diamine
SMILESCCCCN(CCNCCN(CC)CC)C1CC1
InChIInChI=1S/C15H33N3/c1-4-7-12-18(15-8-9-15)14-11-16-10-13-17(5-2)6-3/h15-16H,4-14H2,1-3H3
InChIKeyFROIUJAUUMGBFS-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-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

N'-butyl-N'-cyclopropyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine
CID 62553891
N'-butyl-N'-cyclopropyl-N-pentan-3-ylethane-1,2-diamine
CID 62555536
N'-butyl-N'-ethyl-N-propylethane-1,2-diamine
CID 61386883
N-docosyl-N',N'-diethylethane-1,2-diamine
CID 154021468
N-butyl-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62555882
N'-cyclohexyl-N'-ethyl-N-hexylethane-1,2-diamine
CID 63501797
3-[butyl(cyclopropyl)amino]propan-1-ol
CID 60969534
N'-butyl-N'-cyclopropylethane-1,2-diamine
CID 61349574
N-(2-chloroethyl)-N-pentylcyclopropanamine
CID 63388032
N'-cyclopropyl-N-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 60867855
N-butyl-N-propylcyclohexanamine
CID 15751893
N'-cyclopropyl-N'-(2-methoxyethyl)-N-propylbutane-1,4-diamine
CID 62437351

Frequently Asked Questions

What is the IUPAC name of N-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-1,2-diamine (CID 62555037) is N-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-1,2-diamine is CCCCN(CCNCCN(CC)CC)C1CC1.
What is the InChIKey of N-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-1,2-diamine?
The InChIKey is FROIUJAUUMGBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-4-7-12-18(15-8-9-15)14-11-16-10-13-17(5-2)6-3/h15-16H,4-14H2,1-3H3.
What are the key properties of N-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-1,2-diamine?
N-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-1,2-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.18, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(cyclopropyl)amino]ethyl]-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 62555037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).