(E)-N-[(4-methyloxan-4-yl)methyl]pent-3-en-1-amine

C12H23NO — CID 104586335

IUPAC(E)-N-[(4-methyloxan-4-yl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCC1(C)CCOCC1
InChIInChI=1S/C12H23NO/c1-3-4-5-8-13-11-12(2)6-9-14-10-7-12/h3-4,13H,5-11H2,1-2H3/b4-3+
InChIKeyADVCSOKYFUJTML-ONEGZZNKSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds5

About (E)-N-[(4-methyloxan-4-yl)methyl]pent-3-en-1-amine

(E)-N-[(4-methyloxan-4-yl)methyl]pent-3-en-1-amine (PubChem CID 104586335) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (E)-N-[(4-methyloxan-4-yl)methyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-[(4-methyloxan-4-yl)methyl]pent-3-en-1-amine
PubChem CID104586335
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(E)-N-[(4-methyloxan-4-yl)methyl]pent-3-en-1-amine
SMILESC/C=C/CCNCC1(C)CCOCC1
InChIInChI=1S/C12H23NO/c1-3-4-5-8-13-11-12(2)6-9-14-10-7-12/h3-4,13H,5-11H2,1-2H3/b4-3+
InChIKeyADVCSOKYFUJTML-ONEGZZNKSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
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'}

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Related Compounds

3-Oxa-8-azaspiro(5.6)dodec-10-ene hydrochloride
CID 137928022
3-Oxa-8-azaspiro[5.6]dodec-10-ene
CID 137928023
N-(oxan-4-ylmethyl)but-3-en-1-amine
CID 64313531
1-(4-cyclohexa-1,5-dien-1-yloxan-4-yl)-N-methylmethanamine
CID 143143722
2,2-dimethyl-N-(oxan-4-ylmethyl)but-3-en-1-amine
CID 169557764
4-(Methoxymethyl)-4-prop-2-enylpiperidine
CID 59312077
N-(cyclohex-3-en-1-ylmethyl)-1-(oxan-4-yl)methanamine
CID 62386045
N-methyl-4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine
CID 62456470
N-ethyl-4-[(6-methylcyclohex-3-en-1-yl)methoxy]butan-1-amine
CID 62456471
4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylbutan-1-amine
CID 62456472
4-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-(2-methylpropyl)butan-1-amine
CID 62456840
N-(oxan-4-ylmethyl)pent-4-en-1-amine
CID 64313759

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-methyloxan-4-yl)methyl]pent-3-en-1-amine?
The IUPAC name of (E)-N-[(4-methyloxan-4-yl)methyl]pent-3-en-1-amine (CID 104586335) is (E)-N-[(4-methyloxan-4-yl)methyl]pent-3-en-1-amine.
What is the SMILES notation for (E)-N-[(4-methyloxan-4-yl)methyl]pent-3-en-1-amine?
The canonical SMILES for (E)-N-[(4-methyloxan-4-yl)methyl]pent-3-en-1-amine is C/C=C/CCNCC1(C)CCOCC1.
What is the InChIKey of (E)-N-[(4-methyloxan-4-yl)methyl]pent-3-en-1-amine?
The InChIKey is ADVCSOKYFUJTML-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-4-5-8-13-11-12(2)6-9-14-10-7-12/h3-4,13H,5-11H2,1-2H3/b4-3+.
What are the key properties of (E)-N-[(4-methyloxan-4-yl)methyl]pent-3-en-1-amine?
(E)-N-[(4-methyloxan-4-yl)methyl]pent-3-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-methyloxan-4-yl)methyl]pent-3-en-1-amine is sourced from PubChem (CID 104586335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).