(2Z,4Z)-3,4-ditert-butyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hexa-2,4-dien-1-amine

C20H35N — CID 167384763

IUPAC(2Z,4Z)-3,4-ditert-butyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hexa-2,4-dien-1-amine
SMILESC/C=C\C(=C/C)NC/C=C(C(=C/C)\C(C)(C)C)/C(C)(C)C
InChIInChI=1S/C20H35N/c1-10-13-16(11-2)21-15-14-18(20(7,8)9)17(12-3)19(4,5)6/h10-14,21H,15H2,1-9H3/b13-10-,16-11+,17-12+,18-14+
InChIKeyOECPFHOFAALDSM-JCGLFVRHSA-N
MW289.51 g/mol
LogP6.02
Rot. Bonds5

About (2Z,4Z)-3,4-ditert-butyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hexa-2,4-dien-1-amine

(2Z,4Z)-3,4-ditert-butyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hexa-2,4-dien-1-amine (PubChem CID 167384763) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is (2Z,4Z)-3,4-ditert-butyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4Z)-3,4-ditert-butyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hexa-2,4-dien-1-amine
PubChem CID167384763
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name(2Z,4Z)-3,4-ditert-butyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hexa-2,4-dien-1-amine
SMILESC/C=C\C(=C/C)NC/C=C(C(=C/C)\C(C)(C)C)/C(C)(C)C
InChIInChI=1S/C20H35N/c1-10-13-16(11-2)21-15-14-18(20(7,8)9)17(12-3)19(4,5)6/h10-14,21H,15H2,1-9H3/b13-10-,16-11+,17-12+,18-14+
InChIKeyOECPFHOFAALDSM-JCGLFVRHSA-N
XLogP6.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 126586993
(3Z)-3-[[[(3Z,6E,8Z)-10-fluoro-9-(methylamino)-4-[(Z)-prop-1-enyl]undeca-1,3,6,8-tetraen-6-yl]amino]methyl]-2,5,5-trimethylnona-1,3-diene-4-thiol
CID 130243165
(Z)-N-[(3E,5Z)-4-(1,1-difluoroethyl)hepta-1,3,5-trien-2-yl]-3-[(Z)-prop-1-enyl]-4-propylhept-2-en-1-amine
CID 134293638
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CID 156519348
(1E)-1-[(3Z)-3-(1-aminoethylidene)-2-fluoro-4-methyl-5-[(5E,7Z)-2,5,6,8,9-pentamethyldeca-5,7,9-trien-2-yl]cyclohepta-1,4,6-trien-1-yl]-N,3-dimethylbuta-1,3-dien-1-amine
CID 169661350
(3E,5E)-1-N-[(E)-but-1-enyl]-5-(2,2-dimethylpropyl)-3-N-[5-(1-fluoroethyl)cyclohexa-1,5-dien-1-yl]octa-3,5-diene-1,3-diamine
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CID 59711032
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CID 68302136
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CID 68302305
10-Ethyl-6,6,11-trimethyl-2-azabicyclo[5.5.0]dodeca-1(7),8,11-triene
CID 71119983
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CID 71119992

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-3,4-ditert-butyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hexa-2,4-dien-1-amine?
The IUPAC name of (2Z,4Z)-3,4-ditert-butyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hexa-2,4-dien-1-amine (CID 167384763) is (2Z,4Z)-3,4-ditert-butyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hexa-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4Z)-3,4-ditert-butyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hexa-2,4-dien-1-amine?
The canonical SMILES for (2Z,4Z)-3,4-ditert-butyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hexa-2,4-dien-1-amine is C/C=C\C(=C/C)NC/C=C(C(=C/C)\C(C)(C)C)/C(C)(C)C.
What is the InChIKey of (2Z,4Z)-3,4-ditert-butyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hexa-2,4-dien-1-amine?
The InChIKey is OECPFHOFAALDSM-JCGLFVRHSA-N. The full InChI is InChI=1S/C20H35N/c1-10-13-16(11-2)21-15-14-18(20(7,8)9)17(12-3)19(4,5)6/h10-14,21H,15H2,1-9H3/b13-10-,16-11+,17-12+,18-14+.
What are the key properties of (2Z,4Z)-3,4-ditert-butyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hexa-2,4-dien-1-amine?
(2Z,4Z)-3,4-ditert-butyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hexa-2,4-dien-1-amine has a molecular weight of 289.51 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-3,4-ditert-butyl-N-[(2E,4Z)-hexa-2,4-dien-3-yl]hexa-2,4-dien-1-amine is sourced from PubChem (CID 167384763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).