(2E)-N-[2-(4-ethyl-2,2,3,3-tetramethylcyclopentyl)oxyethyl]-7-methylocta-2,6-dien-1-amine

C22H41NO — CID 144804933

IUPAC(2E)-N-[2-(4-ethyl-2,2,3,3-tetramethylcyclopentyl)oxyethyl]-7-methylocta-2,6-dien-1-amine
SMILESCCC1CC(OCCNC/C=C/CCC=C(C)C)C(C)(C)C1(C)C
InChIInChI=1S/C22H41NO/c1-8-19-17-20(22(6,7)21(19,4)5)24-16-15-23-14-12-10-9-11-13-18(2)3/h10,12-13,19-20,23H,8-9,11,14-17H2,1-7H3/b12-10+
InChIKeyCAMHFALRDXVMAE-ZRDIBKRKSA-N
MW335.58 g/mol
LogP5.75
Rot. Bonds10

About (2E)-N-[2-(4-ethyl-2,2,3,3-tetramethylcyclopentyl)oxyethyl]-7-methylocta-2,6-dien-1-amine

(2E)-N-[2-(4-ethyl-2,2,3,3-tetramethylcyclopentyl)oxyethyl]-7-methylocta-2,6-dien-1-amine (PubChem CID 144804933) has the molecular formula C22H41NO and a molecular weight of 335.58 g/mol. Its IUPAC name is (2E)-N-[2-(4-ethyl-2,2,3,3-tetramethylcyclopentyl)oxyethyl]-7-methylocta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E)-N-[2-(4-ethyl-2,2,3,3-tetramethylcyclopentyl)oxyethyl]-7-methylocta-2,6-dien-1-amine
PubChem CID144804933
Molecular FormulaC22H41NO
Molecular Weight335.58 g/mol
Exact Mass335.32
IUPAC Name(2E)-N-[2-(4-ethyl-2,2,3,3-tetramethylcyclopentyl)oxyethyl]-7-methylocta-2,6-dien-1-amine
SMILESCCC1CC(OCCNC/C=C/CCC=C(C)C)C(C)(C)C1(C)C
InChIInChI=1S/C22H41NO/c1-8-19-17-20(22(6,7)21(19,4)5)24-16-15-23-14-12-10-9-11-13-18(2)3/h10,12-13,19-20,23H,8-9,11,14-17H2,1-7H3/b12-10+
InChIKeyCAMHFALRDXVMAE-ZRDIBKRKSA-N
XLogP5.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 55.75
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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Frequently Asked Questions

What is the IUPAC name of (2E)-N-[2-(4-ethyl-2,2,3,3-tetramethylcyclopentyl)oxyethyl]-7-methylocta-2,6-dien-1-amine?
The IUPAC name of (2E)-N-[2-(4-ethyl-2,2,3,3-tetramethylcyclopentyl)oxyethyl]-7-methylocta-2,6-dien-1-amine (CID 144804933) is (2E)-N-[2-(4-ethyl-2,2,3,3-tetramethylcyclopentyl)oxyethyl]-7-methylocta-2,6-dien-1-amine.
What is the SMILES notation for (2E)-N-[2-(4-ethyl-2,2,3,3-tetramethylcyclopentyl)oxyethyl]-7-methylocta-2,6-dien-1-amine?
The canonical SMILES for (2E)-N-[2-(4-ethyl-2,2,3,3-tetramethylcyclopentyl)oxyethyl]-7-methylocta-2,6-dien-1-amine is CCC1CC(OCCNC/C=C/CCC=C(C)C)C(C)(C)C1(C)C.
What is the InChIKey of (2E)-N-[2-(4-ethyl-2,2,3,3-tetramethylcyclopentyl)oxyethyl]-7-methylocta-2,6-dien-1-amine?
The InChIKey is CAMHFALRDXVMAE-ZRDIBKRKSA-N. The full InChI is InChI=1S/C22H41NO/c1-8-19-17-20(22(6,7)21(19,4)5)24-16-15-23-14-12-10-9-11-13-18(2)3/h10,12-13,19-20,23H,8-9,11,14-17H2,1-7H3/b12-10+.
What are the key properties of (2E)-N-[2-(4-ethyl-2,2,3,3-tetramethylcyclopentyl)oxyethyl]-7-methylocta-2,6-dien-1-amine?
(2E)-N-[2-(4-ethyl-2,2,3,3-tetramethylcyclopentyl)oxyethyl]-7-methylocta-2,6-dien-1-amine has a molecular weight of 335.58 g/mol, XLogP of 5.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[2-(4-ethyl-2,2,3,3-tetramethylcyclopentyl)oxyethyl]-7-methylocta-2,6-dien-1-amine is sourced from PubChem (CID 144804933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).