(2E)-5-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]hexa-2,4-dien-3-amine

C14H25NO — CID 139297014

IUPAC(2E)-5-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]hexa-2,4-dien-3-amine
SMILESC/C=C(\C=C(C)C)N[C@@H](C)C1CCOCC1
InChIInChI=1S/C14H25NO/c1-5-14(10-11(2)3)15-12(4)13-6-8-16-9-7-13/h5,10,12-13,15H,6-9H2,1-4H3/b14-5+/t12-/m0/s1
InChIKeyFWPFRKGBFXTGIO-FUFNBDOUSA-N
MW223.36 g/mol
LogP3.26
Rot. Bonds4

About (2E)-5-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]hexa-2,4-dien-3-amine

(2E)-5-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]hexa-2,4-dien-3-amine (PubChem CID 139297014) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2E)-5-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]hexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E)-5-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]hexa-2,4-dien-3-amine
PubChem CID139297014
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2E)-5-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]hexa-2,4-dien-3-amine
SMILESC/C=C(\C=C(C)C)N[C@@H](C)C1CCOCC1
InChIInChI=1S/C14H25NO/c1-5-14(10-11(2)3)15-12(4)13-6-8-16-9-7-13/h5,10,12-13,15H,6-9H2,1-4H3/b14-5+/t12-/m0/s1
InChIKeyFWPFRKGBFXTGIO-FUFNBDOUSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
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 (2E)-5-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]hexa-2,4-dien-3-amine?
The IUPAC name of (2E)-5-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]hexa-2,4-dien-3-amine (CID 139297014) is (2E)-5-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]hexa-2,4-dien-3-amine.
What is the SMILES notation for (2E)-5-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]hexa-2,4-dien-3-amine?
The canonical SMILES for (2E)-5-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]hexa-2,4-dien-3-amine is C/C=C(\C=C(C)C)N[C@@H](C)C1CCOCC1.
What is the InChIKey of (2E)-5-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]hexa-2,4-dien-3-amine?
The InChIKey is FWPFRKGBFXTGIO-FUFNBDOUSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-14(10-11(2)3)15-12(4)13-6-8-16-9-7-13/h5,10,12-13,15H,6-9H2,1-4H3/b14-5+/t12-/m0/s1.
What are the key properties of (2E)-5-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]hexa-2,4-dien-3-amine?
(2E)-5-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]hexa-2,4-dien-3-amine has a molecular weight of 223.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]hexa-2,4-dien-3-amine is sourced from PubChem (CID 139297014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).