N-[(E)-pent-3-enyl]oxepan-4-amine

C11H21NO — CID 115890191

IUPACN-[(E)-pent-3-enyl]oxepan-4-amine
SMILESC/C=C/CCNC1CCCOCC1
InChIInChI=1S/C11H21NO/c1-2-3-4-8-12-11-6-5-9-13-10-7-11/h2-3,11-12H,4-10H2,1H3/b3-2+
InChIKeyYUVMLCXIMACLJJ-NSCUHMNNSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds4

About N-[(E)-pent-3-enyl]oxepan-4-amine

N-[(E)-pent-3-enyl]oxepan-4-amine (PubChem CID 115890191) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]oxepan-4-amine.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]oxepan-4-amine
PubChem CID115890191
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-[(E)-pent-3-enyl]oxepan-4-amine
SMILESC/C=C/CCNC1CCCOCC1
InChIInChI=1S/C11H21NO/c1-2-3-4-8-12-11-6-5-9-13-10-7-11/h2-3,11-12H,4-10H2,1H3/b3-2+
InChIKeyYUVMLCXIMACLJJ-NSCUHMNNSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(E)-pent-3-enyl]oxepan-4-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-methyl-N-[(E)-pent-3-enyl]oxan-4-amine
CID 115898630
3-(oxepan-4-ylamino)propan-1-ol
CID 65076618
4-(oxepan-4-ylamino)butan-1-ol
CID 106841051
N-[2-(4-methylcyclohexyl)ethyl]oxepan-4-amine
CID 65079654
N-(2,2,3-trimethylbutyl)oxepan-4-amine
CID 102613607
N-propyloxan-4-amine
CID 18348908
3-(2-methylpropyl)-N-[(E)-pent-3-enyl]cyclohexan-1-amine
CID 107428771
N-(2-piperidin-1-ylethyl)oxepan-4-amine
CID 65081716
N-[(E)-pent-3-enyl]thiolan-3-amine
CID 115890143
2-methyl-N-[(E)-pent-3-enyl]oxolan-3-amine
CID 115890220
3-(oxepan-4-ylamino)propane-1-sulfonamide
CID 65082122
N-[(E)-but-2-enyl]oxolan-3-amine
CID 107899108

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]oxepan-4-amine?
The IUPAC name of N-[(E)-pent-3-enyl]oxepan-4-amine (CID 115890191) is N-[(E)-pent-3-enyl]oxepan-4-amine.
What is the SMILES notation for N-[(E)-pent-3-enyl]oxepan-4-amine?
The canonical SMILES for N-[(E)-pent-3-enyl]oxepan-4-amine is C/C=C/CCNC1CCCOCC1.
What is the InChIKey of N-[(E)-pent-3-enyl]oxepan-4-amine?
The InChIKey is YUVMLCXIMACLJJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-4-8-12-11-6-5-9-13-10-7-11/h2-3,11-12H,4-10H2,1H3/b3-2+.
What are the key properties of N-[(E)-pent-3-enyl]oxepan-4-amine?
N-[(E)-pent-3-enyl]oxepan-4-amine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]oxepan-4-amine is sourced from PubChem (CID 115890191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).