N-butyl-3-[3-(butylamino)but-1-en-2-yloxy]but-3-en-2-amine

C16H32N2O — CID 87753068

IUPACN-butyl-3-[3-(butylamino)but-1-en-2-yloxy]but-3-en-2-amine
SMILESC=C(OC(=C)C(C)NCCCC)C(C)NCCCC
InChIInChI=1S/C16H32N2O/c1-7-9-11-17-13(3)15(5)19-16(6)14(4)18-12-10-8-2/h13-14,17-18H,5-12H2,1-4H3
InChIKeyRLGPSIWEQKSACF-UHFFFAOYSA-N
MW268.44 g/mol
LogP3.59
Rot. Bonds12

About N-butyl-3-[3-(butylamino)but-1-en-2-yloxy]but-3-en-2-amine

N-butyl-3-[3-(butylamino)but-1-en-2-yloxy]but-3-en-2-amine (PubChem CID 87753068) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-butyl-3-[3-(butylamino)but-1-en-2-yloxy]but-3-en-2-amine.

Molecular Properties

Compound NameN-butyl-3-[3-(butylamino)but-1-en-2-yloxy]but-3-en-2-amine
PubChem CID87753068
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-butyl-3-[3-(butylamino)but-1-en-2-yloxy]but-3-en-2-amine
SMILESC=C(OC(=C)C(C)NCCCC)C(C)NCCCC
InChIInChI=1S/C16H32N2O/c1-7-9-11-17-13(3)15(5)19-16(6)14(4)18-12-10-8-2/h13-14,17-18H,5-12H2,1-4H3
InChIKeyRLGPSIWEQKSACF-UHFFFAOYSA-N
XLogP3.59
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-3-[3-(butylamino)but-1-en-2-yloxy]but-3-en-2-amine 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-3-[3-(butylamino)but-1-en-2-yloxy]but-3-en-2-amine?
The IUPAC name of N-butyl-3-[3-(butylamino)but-1-en-2-yloxy]but-3-en-2-amine (CID 87753068) is N-butyl-3-[3-(butylamino)but-1-en-2-yloxy]but-3-en-2-amine.
What is the SMILES notation for N-butyl-3-[3-(butylamino)but-1-en-2-yloxy]but-3-en-2-amine?
The canonical SMILES for N-butyl-3-[3-(butylamino)but-1-en-2-yloxy]but-3-en-2-amine is C=C(OC(=C)C(C)NCCCC)C(C)NCCCC.
What is the InChIKey of N-butyl-3-[3-(butylamino)but-1-en-2-yloxy]but-3-en-2-amine?
The InChIKey is RLGPSIWEQKSACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-7-9-11-17-13(3)15(5)19-16(6)14(4)18-12-10-8-2/h13-14,17-18H,5-12H2,1-4H3.
What are the key properties of N-butyl-3-[3-(butylamino)but-1-en-2-yloxy]but-3-en-2-amine?
N-butyl-3-[3-(butylamino)but-1-en-2-yloxy]but-3-en-2-amine has a molecular weight of 268.44 g/mol, XLogP of 3.59, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[3-(butylamino)but-1-en-2-yloxy]but-3-en-2-amine is sourced from PubChem (CID 87753068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).