4-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxy-N,2-dimethylpentan-2-amine

C19H29NO — CID 118535896

IUPAC4-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxy-N,2-dimethylpentan-2-amine
SMILESC=C/C=C\C(=C)C(=C)/C=C\C(=C)OC(C)CC(C)(C)NC
InChIInChI=1S/C19H29NO/c1-9-10-11-15(2)16(3)12-13-17(4)21-18(5)14-19(6,7)20-8/h9-13,18,20H,1-4,14H2,5-8H3/b11-10-,13-12-
InChIKeyRWQXZHUXAWJWGI-FQEMRORKSA-N
MW287.45 g/mol
LogP4.70
Rot. Bonds10

About 4-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxy-N,2-dimethylpentan-2-amine

4-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxy-N,2-dimethylpentan-2-amine (PubChem CID 118535896) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxy-N,2-dimethylpentan-2-amine.

Molecular Properties

Compound Name4-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxy-N,2-dimethylpentan-2-amine
PubChem CID118535896
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name4-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxy-N,2-dimethylpentan-2-amine
SMILESC=C/C=C\C(=C)C(=C)/C=C\C(=C)OC(C)CC(C)(C)NC
InChIInChI=1S/C19H29NO/c1-9-10-11-15(2)16(3)12-13-17(4)21-18(5)14-19(6,7)20-8/h9-13,18,20H,1-4,14H2,5-8H3/b11-10-,13-12-
InChIKeyRWQXZHUXAWJWGI-FQEMRORKSA-N
XLogP4.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxy-N,2-dimethylpentan-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-(5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yloxy)-N,N,2-trimethylpentan-2-amine
CID 123793791
N-(3-cyclohexa-1,5-dien-1-yloxypropyl)-2,4-dimethylhex-5-en-2-amine
CID 126706515
N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine;prop-1-ene
CID 143792048
(4E,6Z)-4-ethenyl-N-methyl-3-(2-methylcyclohepta-1,3,5-trien-1-yl)oxyocta-4,6-dien-1-amine
CID 143896624
N-tert-butyl-3-[(3Z,5Z)-4-propan-2-ylhepta-1,3,5-trien-2-yl]oxycyclobutan-1-amine
CID 146606134
3-[(3E,5Z)-6-ethenyl-8-methylnona-1,3,5-trien-4-yl]oxy-N-propan-2-ylcyclobutan-1-amine
CID 166996581
N-tert-butyl-3-[(2E,4Z)-5-ethenylocta-2,4-dien-3-yl]oxycyclobutan-1-amine
CID 166996737
N-ethyl-3-[(3Z,5Z)-5-ethylidene-8,8-dimethylnona-1,3-dien-2-yl]oxycyclobutan-1-amine
CID 166996742
N-methyl-3-(3-methyl-7-methylidenecyclohepta-2,4-dien-1-yl)oxycyclobutan-1-amine
CID 169647560
N-propyl-3-(6-propylcyclohepta-1,4,6-trien-1-yl)oxycyclobutan-1-amine
CID 142368143
N-methyl-3-[(2Z)-2-propan-2-ylpenta-2,4-dienoxy]pentan-1-amine
CID 143792049

Frequently Asked Questions

What is the IUPAC name of 4-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxy-N,2-dimethylpentan-2-amine?
The IUPAC name of 4-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxy-N,2-dimethylpentan-2-amine (CID 118535896) is 4-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxy-N,2-dimethylpentan-2-amine.
What is the SMILES notation for 4-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxy-N,2-dimethylpentan-2-amine?
The canonical SMILES for 4-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxy-N,2-dimethylpentan-2-amine is C=C/C=C\C(=C)C(=C)/C=C\C(=C)OC(C)CC(C)(C)NC.
What is the InChIKey of 4-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxy-N,2-dimethylpentan-2-amine?
The InChIKey is RWQXZHUXAWJWGI-FQEMRORKSA-N. The full InChI is InChI=1S/C19H29NO/c1-9-10-11-15(2)16(3)12-13-17(4)21-18(5)14-19(6,7)20-8/h9-13,18,20H,1-4,14H2,5-8H3/b11-10-,13-12-.
What are the key properties of 4-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxy-N,2-dimethylpentan-2-amine?
4-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxy-N,2-dimethylpentan-2-amine has a molecular weight of 287.45 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z,7Z)-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxy-N,2-dimethylpentan-2-amine is sourced from PubChem (CID 118535896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).