N-(oxan-4-ylmethyl)pent-4-en-2-amine

C11H21NO — CID 115685663

IUPACN-(oxan-4-ylmethyl)pent-4-en-2-amine
SMILESC=CCC(C)NCC1CCOCC1
InChIInChI=1S/C11H21NO/c1-3-4-10(2)12-9-11-5-7-13-8-6-11/h3,10-12H,1,4-9H2,2H3
InChIKeyFCCDNSMRGRUJBV-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds5

About N-(oxan-4-ylmethyl)pent-4-en-2-amine

N-(oxan-4-ylmethyl)pent-4-en-2-amine (PubChem CID 115685663) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)pent-4-en-2-amine.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)pent-4-en-2-amine
PubChem CID115685663
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-(oxan-4-ylmethyl)pent-4-en-2-amine
SMILESC=CCC(C)NCC1CCOCC1
InChIInChI=1S/C11H21NO/c1-3-4-10(2)12-9-11-5-7-13-8-6-11/h3,10-12H,1,4-9H2,2H3
InChIKeyFCCDNSMRGRUJBV-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(oxan-4-ylmethyl)pent-4-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

Related Compounds

N-(oxan-4-ylmethyl)prop-2-en-1-amine
CID 62384936
N-(oxan-4-ylmethyl)but-3-en-1-amine
CID 64313531
1-(Oxan-4-yl)prop-2-en-1-amine
CID 65589605
N-[1-(oxan-4-yl)ethenyl]propan-2-amine
CID 118390777
N-(2-ethyl-2-methylbut-3-enyl)oxan-4-amine
CID 144399280
3-hex-5-enoxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 146434889
4-methyl-N-(3-methylbut-1-en-2-yl)oxan-3-amine
CID 156090844
(E)-N-(oxan-4-ylmethyl)oct-3-en-4-amine
CID 156288617
(2R,5S)-2-ethenyl-5-methyl-1-(oxan-4-ylmethyl)piperazine
CID 166984406
2,2-dimethyl-N-(oxan-4-ylmethyl)but-3-en-1-amine
CID 169557764
N-[(3R)-3,4-dimethylpent-1-en-3-yl]oxan-4-amine
CID 169564672
N-(3-methyl-2-methylidenebutyl)oxan-4-amine
CID 169820049

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)pent-4-en-2-amine?
The IUPAC name of N-(oxan-4-ylmethyl)pent-4-en-2-amine (CID 115685663) is N-(oxan-4-ylmethyl)pent-4-en-2-amine.
What is the SMILES notation for N-(oxan-4-ylmethyl)pent-4-en-2-amine?
The canonical SMILES for N-(oxan-4-ylmethyl)pent-4-en-2-amine is C=CCC(C)NCC1CCOCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)pent-4-en-2-amine?
The InChIKey is FCCDNSMRGRUJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-10(2)12-9-11-5-7-13-8-6-11/h3,10-12H,1,4-9H2,2H3.
What are the key properties of N-(oxan-4-ylmethyl)pent-4-en-2-amine?
N-(oxan-4-ylmethyl)pent-4-en-2-amine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)pent-4-en-2-amine is sourced from PubChem (CID 115685663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).