1-(3,4-ditert-butyl-1-ethylcyclopent-3-en-1-yl)-N,N-dimethylmethanamine

C18H35N — CID 166872894

IUPAC1-(3,4-ditert-butyl-1-ethylcyclopent-3-en-1-yl)-N,N-dimethylmethanamine
SMILESCCC1(CN(C)C)CC(C(C)(C)C)=C(C(C)(C)C)C1
InChIInChI=1S/C18H35N/c1-10-18(13-19(8)9)11-14(16(2,3)4)15(12-18)17(5,6)7/h10-13H2,1-9H3
InChIKeyFUGRPPXCDNSKQJ-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.13
Rot. Bonds3

About 1-(3,4-ditert-butyl-1-ethylcyclopent-3-en-1-yl)-N,N-dimethylmethanamine

1-(3,4-ditert-butyl-1-ethylcyclopent-3-en-1-yl)-N,N-dimethylmethanamine (PubChem CID 166872894) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is 1-(3,4-ditert-butyl-1-ethylcyclopent-3-en-1-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3,4-ditert-butyl-1-ethylcyclopent-3-en-1-yl)-N,N-dimethylmethanamine
PubChem CID166872894
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name1-(3,4-ditert-butyl-1-ethylcyclopent-3-en-1-yl)-N,N-dimethylmethanamine
SMILESCCC1(CN(C)C)CC(C(C)(C)C)=C(C(C)(C)C)C1
InChIInChI=1S/C18H35N/c1-10-18(13-19(8)9)11-14(16(2,3)4)15(12-18)17(5,6)7/h10-13H2,1-9H3
InChIKeyFUGRPPXCDNSKQJ-UHFFFAOYSA-N
XLogP5.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3,4-ditert-butyl-1-ethylcyclopent-3-en-1-yl)-N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,7-hexahydroinden-4-yl]-N,N-dimethylpropan-1-amine
CID 72199014
N'-[3-(dimethylamino)propyl]-N,N-dimethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]propane-1,3-diamine
CID 3741519
2,3-Dihydro-2-azasqualene
CID 129725423
4-[Dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azaniumyl]butyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium
CID 48067
6-[Dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azaniumyl]hexyl-dimethyl-[2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium
CID 48641
6-[Dimethyl-[2-methyl-3-(2,6,6-trimethylcyclohexen-1-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(2,6,6-trimethylcyclohexen-1-yl)butyl]azanium
CID 51489
N'-ethyl-N,N-dimethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine
CID 2845278
N,N,N'-triethyl-N'-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]ethane-1,2-diamine
CID 2845437
(Dimethylaminoethyl)tri(2-propyl)cyclopentadiene
CID 15501724
6-(2,4-Ditert-butylcyclopenta-2,4-dien-1-yl)hexyl-triethylazanium
CID 18341883
N,N-dimethyl-2-(2,3,4,5-tetrapropylcyclopenta-2,4-dien-1-yl)ethanamine
CID 18783352
N-ethyl-N-[(2,6,6-trimethylcyclohexen-1-yl)methyl]ethanamine
CID 19873483

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-ditert-butyl-1-ethylcyclopent-3-en-1-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(3,4-ditert-butyl-1-ethylcyclopent-3-en-1-yl)-N,N-dimethylmethanamine (CID 166872894) is 1-(3,4-ditert-butyl-1-ethylcyclopent-3-en-1-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3,4-ditert-butyl-1-ethylcyclopent-3-en-1-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3,4-ditert-butyl-1-ethylcyclopent-3-en-1-yl)-N,N-dimethylmethanamine is CCC1(CN(C)C)CC(C(C)(C)C)=C(C(C)(C)C)C1.
What is the InChIKey of 1-(3,4-ditert-butyl-1-ethylcyclopent-3-en-1-yl)-N,N-dimethylmethanamine?
The InChIKey is FUGRPPXCDNSKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-10-18(13-19(8)9)11-14(16(2,3)4)15(12-18)17(5,6)7/h10-13H2,1-9H3.
What are the key properties of 1-(3,4-ditert-butyl-1-ethylcyclopent-3-en-1-yl)-N,N-dimethylmethanamine?
1-(3,4-ditert-butyl-1-ethylcyclopent-3-en-1-yl)-N,N-dimethylmethanamine has a molecular weight of 265.48 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-ditert-butyl-1-ethylcyclopent-3-en-1-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 166872894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).