N-[2-(3,5-dimethylcyclopent-2-en-1-yl)oxyethyl]-3,7,11-trimethyldodecan-1-amine

C24H47NO — CID 144804938

IUPACN-[2-(3,5-dimethylcyclopent-2-en-1-yl)oxyethyl]-3,7,11-trimethyldodecan-1-amine
SMILESCC1=CC(OCCNCCC(C)CCCC(C)CCCC(C)C)C(C)C1
InChIInChI=1S/C24H47NO/c1-19(2)9-7-10-20(3)11-8-12-21(4)13-14-25-15-16-26-24-18-22(5)17-23(24)6/h18-21,23-25H,7-17H2,1-6H3
InChIKeySTLWZAYPNWFLJD-UHFFFAOYSA-N
MW365.65 g/mol
LogP6.61
Rot. Bonds15

About N-[2-(3,5-dimethylcyclopent-2-en-1-yl)oxyethyl]-3,7,11-trimethyldodecan-1-amine

N-[2-(3,5-dimethylcyclopent-2-en-1-yl)oxyethyl]-3,7,11-trimethyldodecan-1-amine (PubChem CID 144804938) has the molecular formula C24H47NO and a molecular weight of 365.65 g/mol. Its IUPAC name is N-[2-(3,5-dimethylcyclopent-2-en-1-yl)oxyethyl]-3,7,11-trimethyldodecan-1-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylcyclopent-2-en-1-yl)oxyethyl]-3,7,11-trimethyldodecan-1-amine
PubChem CID144804938
Molecular FormulaC24H47NO
Molecular Weight365.65 g/mol
Exact Mass365.37
IUPAC NameN-[2-(3,5-dimethylcyclopent-2-en-1-yl)oxyethyl]-3,7,11-trimethyldodecan-1-amine
SMILESCC1=CC(OCCNCCC(C)CCCC(C)CCCC(C)C)C(C)C1
InChIInChI=1S/C24H47NO/c1-19(2)9-7-10-20(3)11-8-12-21(4)13-14-25-15-16-26-24-18-22(5)17-23(24)6/h18-21,23-25H,7-17H2,1-6H3
InChIKeySTLWZAYPNWFLJD-UHFFFAOYSA-N
XLogP6.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(E)-2-(4-tert-butylcyclohexyl)oxy-N-methyl-3-propan-2-ylpent-3-en-1-amine
CID 160311808
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CID 170356772
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CID 174588639
(E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propylprop-2-en-1-amine
CID 82836927
(E)-2-cyclohexyl-3-(oxolan-2-yl)-N-propan-2-ylprop-2-en-1-amine
CID 82837040
N-[(E)-2-cyclohexyl-3-(oxolan-2-yl)prop-2-enyl]-2-methylpropan-2-amine
CID 82837153
(E)-2-cyclohexyl-N-(2-methoxyethyl)-3-(oxolan-2-yl)prop-2-en-1-amine
CID 82837260
(E)-2-cyclohexyl-N-ethyl-3-(oxolan-2-yl)prop-2-en-1-amine
CID 82838511
(E)-2-cyclohexyl-N-ethyl-3-(5-methyloxolan-2-yl)prop-2-en-1-amine
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(E)-2-cyclohexyl-3-(5-methyloxolan-2-yl)-N-propylprop-2-en-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylcyclopent-2-en-1-yl)oxyethyl]-3,7,11-trimethyldodecan-1-amine?
The IUPAC name of N-[2-(3,5-dimethylcyclopent-2-en-1-yl)oxyethyl]-3,7,11-trimethyldodecan-1-amine (CID 144804938) is N-[2-(3,5-dimethylcyclopent-2-en-1-yl)oxyethyl]-3,7,11-trimethyldodecan-1-amine.
What is the SMILES notation for N-[2-(3,5-dimethylcyclopent-2-en-1-yl)oxyethyl]-3,7,11-trimethyldodecan-1-amine?
The canonical SMILES for N-[2-(3,5-dimethylcyclopent-2-en-1-yl)oxyethyl]-3,7,11-trimethyldodecan-1-amine is CC1=CC(OCCNCCC(C)CCCC(C)CCCC(C)C)C(C)C1.
What is the InChIKey of N-[2-(3,5-dimethylcyclopent-2-en-1-yl)oxyethyl]-3,7,11-trimethyldodecan-1-amine?
The InChIKey is STLWZAYPNWFLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO/c1-19(2)9-7-10-20(3)11-8-12-21(4)13-14-25-15-16-26-24-18-22(5)17-23(24)6/h18-21,23-25H,7-17H2,1-6H3.
What are the key properties of N-[2-(3,5-dimethylcyclopent-2-en-1-yl)oxyethyl]-3,7,11-trimethyldodecan-1-amine?
N-[2-(3,5-dimethylcyclopent-2-en-1-yl)oxyethyl]-3,7,11-trimethyldodecan-1-amine has a molecular weight of 365.65 g/mol, XLogP of 6.61, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylcyclopent-2-en-1-yl)oxyethyl]-3,7,11-trimethyldodecan-1-amine is sourced from PubChem (CID 144804938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).