ethane;(4E)-N,N,2,3,3-pentamethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine

C17H33N — CID 143290460

IUPACethane;(4E)-N,N,2,3,3-pentamethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine
SMILESC=C/C=C(\C=C/C)C(C)(C)C(C)CN(C)C.CC
InChIInChI=1S/C15H27N.C2H6/c1-8-10-14(11-9-2)15(4,5)13(3)12-16(6)7;1-2/h8-11,13H,1,12H2,2-7H3;1-2H3/b11-9-,14-10+;
InChIKeyAMQWIAHIGGIBHV-HSFUHKPRSA-N
MW251.46 g/mol
LogP4.93
Rot. Bonds6

About ethane;(4E)-N,N,2,3,3-pentamethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine

ethane;(4E)-N,N,2,3,3-pentamethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine (PubChem CID 143290460) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is ethane;(4E)-N,N,2,3,3-pentamethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine.

Molecular Properties

Compound Nameethane;(4E)-N,N,2,3,3-pentamethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine
PubChem CID143290460
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Nameethane;(4E)-N,N,2,3,3-pentamethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine
SMILESC=C/C=C(\C=C/C)C(C)(C)C(C)CN(C)C.CC
InChIInChI=1S/C15H27N.C2H6/c1-8-10-14(11-9-2)15(4,5)13(3)12-16(6)7;1-2/h8-11,13H,1,12H2,2-7H3;1-2H3/b11-9-,14-10+;
InChIKeyAMQWIAHIGGIBHV-HSFUHKPRSA-N
XLogP4.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine
CID 15657126
1-[(4Z,6E)-9-tert-butyl-4-[(Z)-1,2-difluoroethenyl]-10,12-dimethyl-11-prop-1-en-2-yltrideca-4,6,10,12-tetraenyl]piperidine
CID 166907449
N,N-dimethyl-2-(1,2,3,5-tetramethylcyclopenta-2,4-dien-1-yl)ethanamine
CID 15657127
N,N-dimethyl-1-(1,3,5-trimethyl-6-methylidenecyclohexa-2,4-dien-1-yl)methanamine
CID 166448865
(Z)-N-ethyl-N-(2-fluoropropyl)-9-methyl-4-methylidene-7-propan-2-ylidenedec-5-en-1-amine
CID 142340861
n,n-Dimethyl-1-(1,2,3,5-tetramethyl-6-pentylcyclohexa-2,4-dien-1-yl)methanamine
CID 233424
N,N,N-Trimethyl(1,2,3,5-tetramethyl-6-pentylcyclohexa-2,4-dien-1-yl)methanaminium iodide
CID 24183940
3-(2,4-Ditert-butylcyclopenta-2,4-dien-1-yl)propyl-triethylazanium
CID 18341880
6-(2,4-Ditert-butylcyclopenta-2,4-dien-1-yl)hexyl-triethylazanium
CID 18341883
1-[4,5-bis(3-methylpentan-3-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine
CID 18783337
2-cyclopenta-1,3-dien-1-yl-N,N,3,3-tetramethylbutan-1-amine
CID 19033390
2-cyclopenta-1,3-dien-1-yl-N,N,2-trimethylpropan-1-amine
CID 19037140

Frequently Asked Questions

What is the IUPAC name of ethane;(4E)-N,N,2,3,3-pentamethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine?
The IUPAC name of ethane;(4E)-N,N,2,3,3-pentamethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine (CID 143290460) is ethane;(4E)-N,N,2,3,3-pentamethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine.
What is the SMILES notation for ethane;(4E)-N,N,2,3,3-pentamethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine?
The canonical SMILES for ethane;(4E)-N,N,2,3,3-pentamethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine is C=C/C=C(\C=C/C)C(C)(C)C(C)CN(C)C.CC.
What is the InChIKey of ethane;(4E)-N,N,2,3,3-pentamethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine?
The InChIKey is AMQWIAHIGGIBHV-HSFUHKPRSA-N. The full InChI is InChI=1S/C15H27N.C2H6/c1-8-10-14(11-9-2)15(4,5)13(3)12-16(6)7;1-2/h8-11,13H,1,12H2,2-7H3;1-2H3/b11-9-,14-10+;.
What are the key properties of ethane;(4E)-N,N,2,3,3-pentamethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine?
ethane;(4E)-N,N,2,3,3-pentamethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4E)-N,N,2,3,3-pentamethyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-amine is sourced from PubChem (CID 143290460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).