N-[(1E,3E)-4,5,5-trimethyl-1-(methylideneamino)hexa-1,3-dien-2-yl]oxan-4-amine

C15H26N2O — CID 126546063

IUPACN-[(1E,3E)-4,5,5-trimethyl-1-(methylideneamino)hexa-1,3-dien-2-yl]oxan-4-amine
SMILESC=N/C=C(\C=C(/C)C(C)(C)C)NC1CCOCC1
InChIInChI=1S/C15H26N2O/c1-12(15(2,3)4)10-14(11-16-5)17-13-6-8-18-9-7-13/h10-11,13,17H,5-9H2,1-4H3/b12-10+,14-11+
InChIKeyYBCZHWYCNMLWAP-NCPBJGSTSA-N
MW250.39 g/mol
LogP3.29
Rot. Bonds4

About N-[(1E,3E)-4,5,5-trimethyl-1-(methylideneamino)hexa-1,3-dien-2-yl]oxan-4-amine

N-[(1E,3E)-4,5,5-trimethyl-1-(methylideneamino)hexa-1,3-dien-2-yl]oxan-4-amine (PubChem CID 126546063) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(1E,3E)-4,5,5-trimethyl-1-(methylideneamino)hexa-1,3-dien-2-yl]oxan-4-amine.

Molecular Properties

Compound NameN-[(1E,3E)-4,5,5-trimethyl-1-(methylideneamino)hexa-1,3-dien-2-yl]oxan-4-amine
PubChem CID126546063
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[(1E,3E)-4,5,5-trimethyl-1-(methylideneamino)hexa-1,3-dien-2-yl]oxan-4-amine
SMILESC=N/C=C(\C=C(/C)C(C)(C)C)NC1CCOCC1
InChIInChI=1S/C15H26N2O/c1-12(15(2,3)4)10-14(11-16-5)17-13-6-8-18-9-7-13/h10-11,13,17H,5-9H2,1-4H3/b12-10+,14-11+
InChIKeyYBCZHWYCNMLWAP-NCPBJGSTSA-N
XLogP3.29
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-4,5,5-trimethyl-1-(methylideneamino)hexa-1,3-dien-2-yl]oxan-4-amine?
The IUPAC name of N-[(1E,3E)-4,5,5-trimethyl-1-(methylideneamino)hexa-1,3-dien-2-yl]oxan-4-amine (CID 126546063) is N-[(1E,3E)-4,5,5-trimethyl-1-(methylideneamino)hexa-1,3-dien-2-yl]oxan-4-amine.
What is the SMILES notation for N-[(1E,3E)-4,5,5-trimethyl-1-(methylideneamino)hexa-1,3-dien-2-yl]oxan-4-amine?
The canonical SMILES for N-[(1E,3E)-4,5,5-trimethyl-1-(methylideneamino)hexa-1,3-dien-2-yl]oxan-4-amine is C=N/C=C(\C=C(/C)C(C)(C)C)NC1CCOCC1.
What is the InChIKey of N-[(1E,3E)-4,5,5-trimethyl-1-(methylideneamino)hexa-1,3-dien-2-yl]oxan-4-amine?
The InChIKey is YBCZHWYCNMLWAP-NCPBJGSTSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12(15(2,3)4)10-14(11-16-5)17-13-6-8-18-9-7-13/h10-11,13,17H,5-9H2,1-4H3/b12-10+,14-11+.
What are the key properties of N-[(1E,3E)-4,5,5-trimethyl-1-(methylideneamino)hexa-1,3-dien-2-yl]oxan-4-amine?
N-[(1E,3E)-4,5,5-trimethyl-1-(methylideneamino)hexa-1,3-dien-2-yl]oxan-4-amine has a molecular weight of 250.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-4,5,5-trimethyl-1-(methylideneamino)hexa-1,3-dien-2-yl]oxan-4-amine is sourced from PubChem (CID 126546063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).