1-methyl-2-propylcyclopentane;(6Z,9Z)-N,7,8,11-tetramethyldodeca-6,9,11-trien-5-imine

C25H45N — CID 145299285

IUPAC1-methyl-2-propylcyclopentane;(6Z,9Z)-N,7,8,11-tetramethyldodeca-6,9,11-trien-5-imine
SMILESC=C(C)/C=C\C(C)/C(C)=C\C(CCCC)=N\C.CCCC1CCCC1C
InChIInChI=1S/C16H27N.C9H18/c1-7-8-9-16(17-6)12-15(5)14(4)11-10-13(2)3;1-3-5-9-7-4-6-8(9)2/h10-12,14H,2,7-9H2,1,3-6H3;8-9H,3-7H2,1-2H3/b11-10-,15-12-,17-16+;
InChIKeyPIARKFWKGHLLCH-GOYPMJDESA-N
MW359.64 g/mol
LogP8.18
Rot. Bonds9

About 1-methyl-2-propylcyclopentane;(6Z,9Z)-N,7,8,11-tetramethyldodeca-6,9,11-trien-5-imine

1-methyl-2-propylcyclopentane;(6Z,9Z)-N,7,8,11-tetramethyldodeca-6,9,11-trien-5-imine (PubChem CID 145299285) has the molecular formula C25H45N and a molecular weight of 359.64 g/mol. Its IUPAC name is 1-methyl-2-propylcyclopentane;(6Z,9Z)-N,7,8,11-tetramethyldodeca-6,9,11-trien-5-imine.

Molecular Properties

Compound Name1-methyl-2-propylcyclopentane;(6Z,9Z)-N,7,8,11-tetramethyldodeca-6,9,11-trien-5-imine
PubChem CID145299285
Molecular FormulaC25H45N
Molecular Weight359.64 g/mol
Exact Mass359.36
IUPAC Name1-methyl-2-propylcyclopentane;(6Z,9Z)-N,7,8,11-tetramethyldodeca-6,9,11-trien-5-imine
SMILESC=C(C)/C=C\C(C)/C(C)=C\C(CCCC)=N\C.CCCC1CCCC1C
InChIInChI=1S/C16H27N.C9H18/c1-7-8-9-16(17-6)12-15(5)14(4)11-10-13(2)3;1-3-5-9-7-4-6-8(9)2/h10-12,14H,2,7-9H2,1,3-6H3;8-9H,3-7H2,1-2H3/b11-10-,15-12-,17-16+;
InChIKeyPIARKFWKGHLLCH-GOYPMJDESA-N
XLogP8.18
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.64
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-methyl-2-propylcyclopentane;(6Z,9Z)-N,7,8,11-tetramethyldodeca-6,9,11-trien-5-imine with MolForge

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Related Compounds

(5Z)-5-[(E,5E)-5-(1-fluoropropylidene)-7,8-dimethyl-2-methylidenedec-6-enylidene]-N,2,3-trimethylcyclopentan-1-imine
CID 155393975
(6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine
CID 88874929
1-[6-(3,6-dimethylideneoct-4-en-2-yl)cyclohexa-1,5-dien-1-yl]-N-methylethanimine
CID 90743390
1-(4-ethylcyclonona-2,3,5,7-tetraen-1-yl)-N-methylundecan-2-imine
CID 91153524
(Z)-10-cyclopentyl-5-ethenyl-N-[7-(4-ethylcycloocta-1,3-dien-1-yl)-2-propylheptyl]-8-methylideneundec-3-en-2-imine
CID 91245954
(2Z)-N-(3-cyclopentylbutyl)-5-methylocta-2,5-dien-4-imine
CID 123142784
N-butan-2-yl-10-(3-cyclohepta-2,4-dien-1-ylbut-3-en-2-ylidene)hexadec-3-en-8-imine
CID 123212759
4-(Cyclopentylmethyl)-10-ethyl-3-azabicyclo[5.4.1]dodeca-3,5,7,10-tetraene
CID 123304381
N-methyl-1,2,3,3a,4,7a-hexahydroinden-5-imine
CID 123362281
(6E)-8-cycloocta-1,7-dien-1-yl-3,9-diethyl-N,7,12-trimethyltrideca-1,2,6,10,12-pentaen-4-imine
CID 123520160
7-cyclopentyl-N-methylhept-2-en-4-imine
CID 123563779
4-(3-cyclohepta-1,6-dien-1-ylpropyl)-N-methylcyclohex-2-en-1-imine
CID 123586387

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propylcyclopentane;(6Z,9Z)-N,7,8,11-tetramethyldodeca-6,9,11-trien-5-imine?
The IUPAC name of 1-methyl-2-propylcyclopentane;(6Z,9Z)-N,7,8,11-tetramethyldodeca-6,9,11-trien-5-imine (CID 145299285) is 1-methyl-2-propylcyclopentane;(6Z,9Z)-N,7,8,11-tetramethyldodeca-6,9,11-trien-5-imine.
What is the SMILES notation for 1-methyl-2-propylcyclopentane;(6Z,9Z)-N,7,8,11-tetramethyldodeca-6,9,11-trien-5-imine?
The canonical SMILES for 1-methyl-2-propylcyclopentane;(6Z,9Z)-N,7,8,11-tetramethyldodeca-6,9,11-trien-5-imine is C=C(C)/C=C\C(C)/C(C)=C\C(CCCC)=N\C.CCCC1CCCC1C.
What is the InChIKey of 1-methyl-2-propylcyclopentane;(6Z,9Z)-N,7,8,11-tetramethyldodeca-6,9,11-trien-5-imine?
The InChIKey is PIARKFWKGHLLCH-GOYPMJDESA-N. The full InChI is InChI=1S/C16H27N.C9H18/c1-7-8-9-16(17-6)12-15(5)14(4)11-10-13(2)3;1-3-5-9-7-4-6-8(9)2/h10-12,14H,2,7-9H2,1,3-6H3;8-9H,3-7H2,1-2H3/b11-10-,15-12-,17-16+;.
What are the key properties of 1-methyl-2-propylcyclopentane;(6Z,9Z)-N,7,8,11-tetramethyldodeca-6,9,11-trien-5-imine?
1-methyl-2-propylcyclopentane;(6Z,9Z)-N,7,8,11-tetramethyldodeca-6,9,11-trien-5-imine has a molecular weight of 359.64 g/mol, XLogP of 8.18, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propylcyclopentane;(6Z,9Z)-N,7,8,11-tetramethyldodeca-6,9,11-trien-5-imine is sourced from PubChem (CID 145299285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).