2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine

C15H25NO — CID 123630450

IUPAC2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine
SMILESC=C(C=C(C)C(CC(=C)C(=C)C)N(C)C)OC
InChIInChI=1S/C15H25NO/c1-11(2)12(3)10-15(16(6)7)13(4)9-14(5)17-8/h9,15H,1,3,5,10H2,2,4,6-8H3
InChIKeyNVOSRLYOQNDGHK-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.55
Rot. Bonds7

About 2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine

2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine (PubChem CID 123630450) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine.

Molecular Properties

Compound Name2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine
PubChem CID123630450
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine
SMILESC=C(C=C(C)C(CC(=C)C(=C)C)N(C)C)OC
InChIInChI=1S/C15H25NO/c1-11(2)12(3)10-15(16(6)7)13(4)9-14(5)17-8/h9,15H,1,3,5,10H2,2,4,6-8H3
InChIKeyNVOSRLYOQNDGHK-UHFFFAOYSA-N
XLogP3.55
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-[3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-amine;ethane
CID 145352654
N,N-dimethyl-1-[3-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-amine
CID 145352655
(3E,5S)-2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine
CID 89283347
2-(4-ethoxypenta-2,4-dien-2-yl)-1,5-dimethyl-4-prop-1-enyl-3,6-dihydro-2H-pyridine
CID 123719607
(5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine
CID 139419803
2-cyclohepta-1,4,6-trien-1-yl-1-[(2Z)-2-[(E)-1-methoxyprop-1-enyl]-4-methylpenta-2,4-dienyl]piperidine
CID 142044157
1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylethanamine
CID 142147408
(3E,4Z)-1-ethyl-4-ethylidene-3-(2-methoxyprop-2-enylidene)piperidine
CID 143866535
N-ethyl-1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine
CID 145352646
ethane;N-[1-(3-methoxycyclohexa-1,3-dien-1-yl)ethyl]-N-methylpropan-1-amine
CID 145352662
3-Octan-2-yl-2,4,5,6-tetrahydro-1,3-benzoxazine
CID 167074211
(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine
CID 142549969

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine?
The IUPAC name of 2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine (CID 123630450) is 2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine.
What is the SMILES notation for 2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine?
The canonical SMILES for 2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine is C=C(C=C(C)C(CC(=C)C(=C)C)N(C)C)OC.
What is the InChIKey of 2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine?
The InChIKey is NVOSRLYOQNDGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-11(2)12(3)10-15(16(6)7)13(4)9-14(5)17-8/h9,15H,1,3,5,10H2,2,4,6-8H3.
What are the key properties of 2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine?
2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine has a molecular weight of 235.37 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine is sourced from PubChem (CID 123630450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).