N,N-dimethyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypropan-1-amine

C13H23NO — CID 142169632

IUPACN,N-dimethyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypropan-1-amine
SMILESC=C(C)/C=C\C(=C/C)OCCCN(C)C
InChIInChI=1S/C13H23NO/c1-6-13(9-8-12(2)3)15-11-7-10-14(4)5/h6,8-9H,2,7,10-11H2,1,3-5H3/b9-8-,13-6+
InChIKeyKGMDLZNDTFCXNT-GFBXJKNCSA-N
MW209.33 g/mol
LogP2.99
Rot. Bonds7

About N,N-dimethyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypropan-1-amine

N,N-dimethyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypropan-1-amine (PubChem CID 142169632) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypropan-1-amine
PubChem CID142169632
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN,N-dimethyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypropan-1-amine
SMILESC=C(C)/C=C\C(=C/C)OCCCN(C)C
InChIInChI=1S/C13H23NO/c1-6-13(9-8-12(2)3)15-11-7-10-14(4)5/h6,8-9H,2,7,10-11H2,1,3-5H3/b9-8-,13-6+
InChIKeyKGMDLZNDTFCXNT-GFBXJKNCSA-N
XLogP2.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(3E,8E)-7,10-difluorodeca-3,5,8-trien-4-yl]oxy-N-methyl-N-propylpropan-1-amine
CID 139566255
N-ethyl-3-(5-fluoro-2-methylcyclohepta-1,6-dien-1-yl)oxy-N-methylpropan-1-amine
CID 143263466
3-(7-fluoro-5-methylcyclohepta-1,4,6-trien-1-yl)oxy-N,N-dimethylpropan-1-amine
CID 146247094
3-(6-fluorocyclohexa-1,5-dien-1-yl)oxy-N,N-dimethylpropan-1-amine
CID 173195907
lithium N,N-dimethyl-1-[3-[(2-methylpropan-2-yl)oxymethyl]benzene-2-id-1-yl]methanamine
CID 138968244
lithium 1-(3-methoxybenzene-2-id-1-yl)-N,N-dimethylmethanamine
CID 176428131
3-cyclohexa-1,5-dien-1-yloxy-N,N-dimethylpropan-1-amine
CID 18470682
(2E,4Z)-6-cyclopropylidene-N-ethyl-4-methoxy-N-methylhepta-2,4-dien-1-amine
CID 54179767
(2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine
CID 54571566
3-cyclohexa-2,4-dien-1-yloxy-N,N,2-trimethylpropan-1-amine
CID 68312152
5-[(E)-but-1-enyl]-3-(methoxymethyl)-1-methyl-2H-pyridine
CID 70255589
N,N-dimethyl-3-(4-methylcyclohexa-2,4-dien-1-yl)oxypropan-1-amine
CID 89122683

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypropan-1-amine?
The IUPAC name of N,N-dimethyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypropan-1-amine (CID 142169632) is N,N-dimethyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypropan-1-amine is C=C(C)/C=C\C(=C/C)OCCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypropan-1-amine?
The InChIKey is KGMDLZNDTFCXNT-GFBXJKNCSA-N. The full InChI is InChI=1S/C13H23NO/c1-6-13(9-8-12(2)3)15-11-7-10-14(4)5/h6,8-9H,2,7,10-11H2,1,3-5H3/b9-8-,13-6+.
What are the key properties of N,N-dimethyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypropan-1-amine?
N,N-dimethyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypropan-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypropan-1-amine is sourced from PubChem (CID 142169632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).