N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine

C14H25NO — CID 170054123

IUPACN-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine
SMILESCC/C=C(\C=C(C)C)N(C)C1CCOCC1
InChIInChI=1S/C14H25NO/c1-5-6-14(11-12(2)3)15(4)13-7-9-16-10-8-13/h6,11,13H,5,7-10H2,1-4H3/b14-6+
InChIKeyXUDRJDSFDHNWTO-MKMNVTDBSA-N
MW223.36 g/mol
LogP3.36
Rot. Bonds4

About N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine

N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine (PubChem CID 170054123) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine.

Molecular Properties

Compound NameN-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine
PubChem CID170054123
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine
SMILESCC/C=C(\C=C(C)C)N(C)C1CCOCC1
InChIInChI=1S/C14H25NO/c1-5-6-14(11-12(2)3)15(4)13-7-9-16-10-8-13/h6,11,13H,5,7-10H2,1-4H3/b14-6+
InChIKeyXUDRJDSFDHNWTO-MKMNVTDBSA-N
XLogP3.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine?
The IUPAC name of N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine (CID 170054123) is N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine.
What is the SMILES notation for N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine?
The canonical SMILES for N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine is CC/C=C(\C=C(C)C)N(C)C1CCOCC1.
What is the InChIKey of N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine?
The InChIKey is XUDRJDSFDHNWTO-MKMNVTDBSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-6-14(11-12(2)3)15(4)13-7-9-16-10-8-13/h6,11,13H,5,7-10H2,1-4H3/b14-6+.
What are the key properties of N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine?
N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine has a molecular weight of 223.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4E)-2-methylhepta-2,4-dien-4-yl]oxan-4-amine is sourced from PubChem (CID 170054123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).