N-butyl-4-methoxybut-3-en-1-amine

C9H19NO — CID 54305017

IUPACN-butyl-4-methoxybut-3-en-1-amine
SMILESCCCCNCCC=COC
InChIInChI=1S/C9H19NO/c1-3-4-7-10-8-5-6-9-11-2/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeyMWNFAISVNIBUML-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.93
Rot. Bonds7

About N-butyl-4-methoxybut-3-en-1-amine

N-butyl-4-methoxybut-3-en-1-amine (PubChem CID 54305017) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-butyl-4-methoxybut-3-en-1-amine.

Molecular Properties

Compound NameN-butyl-4-methoxybut-3-en-1-amine
PubChem CID54305017
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-butyl-4-methoxybut-3-en-1-amine
SMILESCCCCNCCC=COC
InChIInChI=1S/C9H19NO/c1-3-4-7-10-8-5-6-9-11-2/h6,9-10H,3-5,7-8H2,1-2H3
InChIKeyMWNFAISVNIBUML-UHFFFAOYSA-N
XLogP1.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-4-methoxybut-3-en-1-amine 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

2-Propan-2-yl-2,3,4,5-tetrahydro-1,3-oxazepine
CID 18316425
N-butyl-4-[4-(butylamino)but-1-enoxy]but-3-en-1-amine
CID 57096483
N-methyl-4-[4-(methylamino)but-1-enoxy]but-3-en-1-amine
CID 57163783
N-tert-butyl-4-[4-(tert-butylamino)but-1-enoxy]but-3-en-1-amine
CID 57164007
N-(2-methoxyethyl)pent-4-en-1-amine
CID 62602902
N-propyl-4H-pyran-3-amine
CID 90926963
N-methyl-5-[5-(methylamino)pent-1-enoxy]pent-4-en-1-amine
CID 91183312
N-butyl-4H-pyran-3-amine
CID 91198593
(E)-4-butoxy-N-(2-iodoethyl)but-3-en-1-amine
CID 118518961
1-[(E)-hex-1-enoxy]-N-[1-[(E)-hex-1-enoxy]ethyl]ethanamine
CID 121299802
1-[(E)-but-1-enoxy]-N-[1-[(E)-but-1-enoxy]ethyl]ethanamine
CID 121299843
2-but-1-enoxy-N-(2-but-1-enoxyethyl)ethanamine
CID 121299844

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methoxybut-3-en-1-amine?
The IUPAC name of N-butyl-4-methoxybut-3-en-1-amine (CID 54305017) is N-butyl-4-methoxybut-3-en-1-amine.
What is the SMILES notation for N-butyl-4-methoxybut-3-en-1-amine?
The canonical SMILES for N-butyl-4-methoxybut-3-en-1-amine is CCCCNCCC=COC.
What is the InChIKey of N-butyl-4-methoxybut-3-en-1-amine?
The InChIKey is MWNFAISVNIBUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-7-10-8-5-6-9-11-2/h6,9-10H,3-5,7-8H2,1-2H3.
What are the key properties of N-butyl-4-methoxybut-3-en-1-amine?
N-butyl-4-methoxybut-3-en-1-amine has a molecular weight of 157.26 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methoxybut-3-en-1-amine is sourced from PubChem (CID 54305017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).