N-hex-5-en-2-yloxetan-3-amine

C9H17NO — CID 104655767

IUPACN-hex-5-en-2-yloxetan-3-amine
SMILESC=CCCC(C)NC1COC1
InChIInChI=1S/C9H17NO/c1-3-4-5-8(2)10-9-6-11-7-9/h3,8-10H,1,4-7H2,2H3
InChIKeyGMMTZKZDTCSMNH-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds5

About N-hex-5-en-2-yloxetan-3-amine

N-hex-5-en-2-yloxetan-3-amine (PubChem CID 104655767) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-hex-5-en-2-yloxetan-3-amine.

Molecular Properties

Compound NameN-hex-5-en-2-yloxetan-3-amine
PubChem CID104655767
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-hex-5-en-2-yloxetan-3-amine
SMILESC=CCCC(C)NC1COC1
InChIInChI=1S/C9H17NO/c1-3-4-5-8(2)10-9-6-11-7-9/h3,8-10H,1,4-7H2,2H3
InChIKeyGMMTZKZDTCSMNH-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-hex-5-en-2-yloxetan-3-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-hex-5-en-2-ylcyclopropanamine
CID 104581323
N-hex-5-en-2-yloxan-4-amine
CID 104581845
N-hex-5-en-2-ylcyclopent-3-en-1-amine
CID 104582994
N-hex-5-en-2-yl-4-methylcyclohexan-1-amine
CID 104581515
4-(hex-5-en-2-ylamino)cyclohexan-1-ol
CID 75525485
N-hex-5-en-2-yl-1-methylpiperidin-4-amine
CID 75525498
(3S)-N-[(2R)-hex-5-en-2-yl]-1-methylpyrrolidin-3-amine
CID 97358828
(3S)-N-[(2S)-hex-5-en-2-yl]-1,1-dioxothiolan-3-amine
CID 97358805
N-hex-5-en-2-yladamantan-2-amine
CID 104655524
2-cyclopropyl-N-hex-5-en-2-yloxolan-3-amine
CID 104583626
N-hex-5-en-2-yl-2-methylcyclohexan-1-amine
CID 104581310
N-propan-2-yloxetan-3-amine
CID 53393300

Frequently Asked Questions

What is the IUPAC name of N-hex-5-en-2-yloxetan-3-amine?
The IUPAC name of N-hex-5-en-2-yloxetan-3-amine (CID 104655767) is N-hex-5-en-2-yloxetan-3-amine.
What is the SMILES notation for N-hex-5-en-2-yloxetan-3-amine?
The canonical SMILES for N-hex-5-en-2-yloxetan-3-amine is C=CCCC(C)NC1COC1.
What is the InChIKey of N-hex-5-en-2-yloxetan-3-amine?
The InChIKey is GMMTZKZDTCSMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-4-5-8(2)10-9-6-11-7-9/h3,8-10H,1,4-7H2,2H3.
What are the key properties of N-hex-5-en-2-yloxetan-3-amine?
N-hex-5-en-2-yloxetan-3-amine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-en-2-yloxetan-3-amine is sourced from PubChem (CID 104655767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).