N-hept-6-en-3-yl-4-methyloxan-4-amine

C13H25NO — CID 115921845

IUPACN-hept-6-en-3-yl-4-methyloxan-4-amine
SMILESC=CCCC(CC)NC1(C)CCOCC1
InChIInChI=1S/C13H25NO/c1-4-6-7-12(5-2)14-13(3)8-10-15-11-9-13/h4,12,14H,1,5-11H2,2-3H3
InChIKeyNSIIPWWDWFJSDF-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.89
Rot. Bonds6

About N-hept-6-en-3-yl-4-methyloxan-4-amine

N-hept-6-en-3-yl-4-methyloxan-4-amine (PubChem CID 115921845) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-hept-6-en-3-yl-4-methyloxan-4-amine.

Molecular Properties

Compound NameN-hept-6-en-3-yl-4-methyloxan-4-amine
PubChem CID115921845
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-hept-6-en-3-yl-4-methyloxan-4-amine
SMILESC=CCCC(CC)NC1(C)CCOCC1
InChIInChI=1S/C13H25NO/c1-4-6-7-12(5-2)14-13(3)8-10-15-11-9-13/h4,12,14H,1,5-11H2,2-3H3
InChIKeyNSIIPWWDWFJSDF-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-hept-6-en-3-yl-4-methyloxan-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

N-but-3-enyloxan-4-amine
CID 64316493
4-methyl-N-prop-2-enyloxan-4-amine
CID 116231351
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
N-[(3R)-3,4-dimethylpent-1-en-3-yl]oxan-4-amine
CID 169564672
N-(cyclohex-3-en-1-ylmethyl)oxan-4-amine
CID 43609615
3-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propan-2-ylpropan-1-amine
CID 62455167
2-methyl-N-[3-[(6-methylcyclohex-3-en-1-yl)methoxy]propyl]propan-2-amine
CID 62455169
N-ethyl-1-methoxyhept-6-en-3-amine
CID 64297218
1-methoxy-N-propylhept-6-en-3-amine
CID 64297220
N-(oxan-4-ylmethyl)pent-4-en-1-amine
CID 64313759
N-pent-4-enyloxan-4-amine
CID 64316494

Frequently Asked Questions

What is the IUPAC name of N-hept-6-en-3-yl-4-methyloxan-4-amine?
The IUPAC name of N-hept-6-en-3-yl-4-methyloxan-4-amine (CID 115921845) is N-hept-6-en-3-yl-4-methyloxan-4-amine.
What is the SMILES notation for N-hept-6-en-3-yl-4-methyloxan-4-amine?
The canonical SMILES for N-hept-6-en-3-yl-4-methyloxan-4-amine is C=CCCC(CC)NC1(C)CCOCC1.
What is the InChIKey of N-hept-6-en-3-yl-4-methyloxan-4-amine?
The InChIKey is NSIIPWWDWFJSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-6-7-12(5-2)14-13(3)8-10-15-11-9-13/h4,12,14H,1,5-11H2,2-3H3.
What are the key properties of N-hept-6-en-3-yl-4-methyloxan-4-amine?
N-hept-6-en-3-yl-4-methyloxan-4-amine has a molecular weight of 211.35 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-6-en-3-yl-4-methyloxan-4-amine is sourced from PubChem (CID 115921845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).