butane;1-cyclohexyl-3,5-dimethylbenzene;ethane;N-methyl-4-propylhept-1-en-3-amine

C33H65N — CID 142209245

IUPACbutane;1-cyclohexyl-3,5-dimethylbenzene;ethane;N-methyl-4-propylhept-1-en-3-amine
SMILESC=CC(NC)C(CCC)CCC.CC.CC.CCCC.Cc1cc(C)cc(C2CCCCC2)c1
InChIInChI=1S/C14H20.C11H23N.C4H10.2C2H6/c1-11-8-12(2)10-14(9-11)13-6-4-3-5-7-13;1-5-8-10(9-6-2)11(7-3)12-4;1-3-4-2;2*1-2/h8-10,13H,3-7H2,1-2H3;7,10-12H,3,5-6,8-9H2,1-2,4H3;3-4H2,1-2H3;2*1-2H3
InChIKeyJPTMCNSELGUQHT-UHFFFAOYSA-N
MW475.89 g/mol
LogP11.19
Rot. Bonds9

About butane;1-cyclohexyl-3,5-dimethylbenzene;ethane;N-methyl-4-propylhept-1-en-3-amine

butane;1-cyclohexyl-3,5-dimethylbenzene;ethane;N-methyl-4-propylhept-1-en-3-amine (PubChem CID 142209245) has the molecular formula C33H65N and a molecular weight of 475.89 g/mol. Its IUPAC name is butane;1-cyclohexyl-3,5-dimethylbenzene;ethane;N-methyl-4-propylhept-1-en-3-amine.

Molecular Properties

Compound Namebutane;1-cyclohexyl-3,5-dimethylbenzene;ethane;N-methyl-4-propylhept-1-en-3-amine
PubChem CID142209245
Molecular FormulaC33H65N
Molecular Weight475.89 g/mol
Exact Mass475.51
IUPAC Namebutane;1-cyclohexyl-3,5-dimethylbenzene;ethane;N-methyl-4-propylhept-1-en-3-amine
SMILESC=CC(NC)C(CCC)CCC.CC.CC.CCCC.Cc1cc(C)cc(C2CCCCC2)c1
InChIInChI=1S/C14H20.C11H23N.C4H10.2C2H6/c1-11-8-12(2)10-14(9-11)13-6-4-3-5-7-13;1-5-8-10(9-6-2)11(7-3)12-4;1-3-4-2;2*1-2/h8-10,13H,3-7H2,1-2H3;7,10-12H,3,5-6,8-9H2,1-2,4H3;3-4H2,1-2H3;2*1-2H3
InChIKeyJPTMCNSELGUQHT-UHFFFAOYSA-N
XLogP11.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.89
LogP ≤ 511.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze butane;1-cyclohexyl-3,5-dimethylbenzene;ethane;N-methyl-4-propylhept-1-en-3-amine with MolForge

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Launch Full Analysis

Related Compounds

1-cyclohexyl-3-hexan-3-yl-5-methylbenzene
CID 143194655
1-cyclohexyl-3-[(3-cyclohexyl-5-methylphenyl)methyl]-5-methylbenzene
CID 19990202
1-tert-butyl-3-cyclohexyl-5-methylbenzene
CID 155650846
1-(4-cyclohexylphenyl)-N-methylpentan-1-amine
CID 43484983
2-(3-cyclohexyl-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 140885765
1-[3-(dicyclohexylmethyl)hexyl]-4-(4-ethenylcyclohexyl)benzene
CID 91280096
1,3,5-tricyclopentylbenzene
CID 611596
5-cyclohexyl-1,3-di(heptan-3-yl)-2-methylbenzene
CID 123832552
1-tert-butyl-3-(3-tert-butyl-5-methylphenyl)-5-methylbenzene;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-3-methyl-5-(4-methylphenyl)benzene;1-cyclohexyl-3,5-dimethylbenzene;1-(3,5-dimethylphenyl)-3,5-dimethylbenzene
CID 158803198
1-(4-cyclohexylphenyl)-N,N'-dimethylmethanediamine
CID 116954314
1-chloro-3-(3,5-dimethylphenyl)cycloheptane
CID 64508863
cyclohexylcyclohexane;1-cyclohexyl-3-methylbenzene;ethane;iodoethane
CID 123173892

Frequently Asked Questions

What is the IUPAC name of butane;1-cyclohexyl-3,5-dimethylbenzene;ethane;N-methyl-4-propylhept-1-en-3-amine?
The IUPAC name of butane;1-cyclohexyl-3,5-dimethylbenzene;ethane;N-methyl-4-propylhept-1-en-3-amine (CID 142209245) is butane;1-cyclohexyl-3,5-dimethylbenzene;ethane;N-methyl-4-propylhept-1-en-3-amine.
What is the SMILES notation for butane;1-cyclohexyl-3,5-dimethylbenzene;ethane;N-methyl-4-propylhept-1-en-3-amine?
The canonical SMILES for butane;1-cyclohexyl-3,5-dimethylbenzene;ethane;N-methyl-4-propylhept-1-en-3-amine is C=CC(NC)C(CCC)CCC.CC.CC.CCCC.Cc1cc(C)cc(C2CCCCC2)c1.
What is the InChIKey of butane;1-cyclohexyl-3,5-dimethylbenzene;ethane;N-methyl-4-propylhept-1-en-3-amine?
The InChIKey is JPTMCNSELGUQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20.C11H23N.C4H10.2C2H6/c1-11-8-12(2)10-14(9-11)13-6-4-3-5-7-13;1-5-8-10(9-6-2)11(7-3)12-4;1-3-4-2;2*1-2/h8-10,13H,3-7H2,1-2H3;7,10-12H,3,5-6,8-9H2,1-2,4H3;3-4H2,1-2H3;2*1-2H3.
What are the key properties of butane;1-cyclohexyl-3,5-dimethylbenzene;ethane;N-methyl-4-propylhept-1-en-3-amine?
butane;1-cyclohexyl-3,5-dimethylbenzene;ethane;N-methyl-4-propylhept-1-en-3-amine has a molecular weight of 475.89 g/mol, XLogP of 11.19, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-cyclohexyl-3,5-dimethylbenzene;ethane;N-methyl-4-propylhept-1-en-3-amine is sourced from PubChem (CID 142209245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).