N-butyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine

C15H30N2 — CID 89204375

IUPACN-butyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine
SMILESC=CC(=C)CNCCCC(C)CNCCCC
InChIInChI=1S/C15H30N2/c1-5-7-10-16-13-15(4)9-8-11-17-12-14(3)6-2/h6,15-17H,2-3,5,7-13H2,1,4H3
InChIKeySXULOZOTUGFCPE-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.12
Rot. Bonds12

About N-butyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine

N-butyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine (PubChem CID 89204375) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-butyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN-butyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine
PubChem CID89204375
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-butyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine
SMILESC=CC(=C)CNCCCC(C)CNCCCC
InChIInChI=1S/C15H30N2/c1-5-7-10-16-13-15(4)9-8-11-17-12-14(3)6-2/h6,15-17H,2-3,5,7-13H2,1,4H3
InChIKeySXULOZOTUGFCPE-UHFFFAOYSA-N
XLogP3.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-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 N-butyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine?
The IUPAC name of N-butyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine (CID 89204375) is N-butyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine.
What is the SMILES notation for N-butyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine?
The canonical SMILES for N-butyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine is C=CC(=C)CNCCCC(C)CNCCCC.
What is the InChIKey of N-butyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine?
The InChIKey is SXULOZOTUGFCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-5-7-10-16-13-15(4)9-8-11-17-12-14(3)6-2/h6,15-17H,2-3,5,7-13H2,1,4H3.
What are the key properties of N-butyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine?
N-butyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine has a molecular weight of 238.42 g/mol, XLogP of 3.12, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-N'-(2-methylidenebut-3-enyl)pentane-1,5-diamine is sourced from PubChem (CID 89204375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).