N,N,3,8,10-pentamethyl-11-propyltetradeca-3,5-dien-6-amine

C22H43N — CID 123250517

IUPACN,N,3,8,10-pentamethyl-11-propyltetradeca-3,5-dien-6-amine
SMILESCCCC(CCC)C(C)CC(C)CC(=CC=C(C)CC)N(C)C
InChIInChI=1S/C22H43N/c1-9-12-21(13-10-2)20(6)16-19(5)17-22(23(7)8)15-14-18(4)11-3/h14-15,19-21H,9-13,16-17H2,1-8H3
InChIKeyYNMUFSNDXLUVPK-UHFFFAOYSA-N
MW321.59 g/mol
LogP7.06
Rot. Bonds12

About N,N,3,8,10-pentamethyl-11-propyltetradeca-3,5-dien-6-amine

N,N,3,8,10-pentamethyl-11-propyltetradeca-3,5-dien-6-amine (PubChem CID 123250517) has the molecular formula C22H43N and a molecular weight of 321.59 g/mol. Its IUPAC name is N,N,3,8,10-pentamethyl-11-propyltetradeca-3,5-dien-6-amine.

Molecular Properties

Compound NameN,N,3,8,10-pentamethyl-11-propyltetradeca-3,5-dien-6-amine
PubChem CID123250517
Molecular FormulaC22H43N
Molecular Weight321.59 g/mol
Exact Mass321.34
IUPAC NameN,N,3,8,10-pentamethyl-11-propyltetradeca-3,5-dien-6-amine
SMILESCCCC(CCC)C(C)CC(C)CC(=CC=C(C)CC)N(C)C
InChIInChI=1S/C22H43N/c1-9-12-21(13-10-2)20(6)16-19(5)17-22(23(7)8)15-14-18(4)11-3/h14-15,19-21H,9-13,16-17H2,1-8H3
InChIKeyYNMUFSNDXLUVPK-UHFFFAOYSA-N
XLogP7.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.59
LogP ≤ 57.06
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-[2-(4-fluoro-9,9-dimethylcyclononen-1-yl)ethyl]-N,3,5,5,6-pentamethyl-4-(3,7,8-trimethylnonan-2-yl)cyclohexa-1,3-dien-1-amine
CID 124035592
(3Z)-3-ethyl-N-[(2E,4Z)-5-[(E)-3-fluorobut-2-en-2-yl]nona-2,4-dienyl]-N,4,5-trimethyldeca-1,3-dien-2-amine
CID 130243094
(7Z)-3-ethyl-N,7,8-trimethyl-N-(trifluoromethyl)deca-1,7,9-trien-2-amine
CID 132173408
(3Z)-2-(difluoromethyl)-6-methyl-N-[(Z)-5-methylhept-3-en-3-yl]-N-(3-methylpent-1-en-2-yl)-5-propylnona-1,3-dien-4-amine
CID 155441586
(3Z)-N-[(Z)-2-(1-fluoroethenyl)but-2-enyl]-N,4,5-trimethyl-3-prop-1-en-2-yldeca-1,3-dien-2-amine
CID 166907484
(3E)-3-fluoro-N,N,6,9,10,13-hexamethyl-5-methylidenepentadeca-1,3-dien-2-amine
CID 142281793
n,n-Dimethyl-1-(1,2,3,5-tetramethyl-6-pentylcyclohexa-2,4-dien-1-yl)methanamine
CID 233424
2-[4,5-di(pentan-2-yl)cyclopenta-1,4-dien-1-yl]-N,N-dimethylethanamine
CID 53757345
N,N-dimethyl-2-[2,4,5-tri(propan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine
CID 56977196
N-butyl-N-[2-[2,4,5-tri(pentan-2-yl)cyclopenta-1,3-dien-1-yl]ethyl]butan-1-amine
CID 57191751
N,N-dimethyl-2-[2,4,5-tri(butan-2-yl)cyclopenta-1,3-dien-1-yl]ethanamine
CID 57277832
N-[[2-(2,4-dimethylcyclohex-3-en-1-yl)cyclopropyl]methyl]-2-methyl-N-prop-1-en-2-ylpropan-2-amine
CID 68302224

Frequently Asked Questions

What is the IUPAC name of N,N,3,8,10-pentamethyl-11-propyltetradeca-3,5-dien-6-amine?
The IUPAC name of N,N,3,8,10-pentamethyl-11-propyltetradeca-3,5-dien-6-amine (CID 123250517) is N,N,3,8,10-pentamethyl-11-propyltetradeca-3,5-dien-6-amine.
What is the SMILES notation for N,N,3,8,10-pentamethyl-11-propyltetradeca-3,5-dien-6-amine?
The canonical SMILES for N,N,3,8,10-pentamethyl-11-propyltetradeca-3,5-dien-6-amine is CCCC(CCC)C(C)CC(C)CC(=CC=C(C)CC)N(C)C.
What is the InChIKey of N,N,3,8,10-pentamethyl-11-propyltetradeca-3,5-dien-6-amine?
The InChIKey is YNMUFSNDXLUVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N/c1-9-12-21(13-10-2)20(6)16-19(5)17-22(23(7)8)15-14-18(4)11-3/h14-15,19-21H,9-13,16-17H2,1-8H3.
What are the key properties of N,N,3,8,10-pentamethyl-11-propyltetradeca-3,5-dien-6-amine?
N,N,3,8,10-pentamethyl-11-propyltetradeca-3,5-dien-6-amine has a molecular weight of 321.59 g/mol, XLogP of 7.06, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,8,10-pentamethyl-11-propyltetradeca-3,5-dien-6-amine is sourced from PubChem (CID 123250517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).