(E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol

C25H45NO — CID 142141543

IUPAC(E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol
SMILESC=C(C)C(CC(C)C)NC(CO)CC(CC)C/C=C(\C)C1=CCC(C)CC1
InChIInChI=1S/C25H45NO/c1-8-22(12-11-21(7)23-13-9-20(6)10-14-23)16-24(17-27)26-25(19(4)5)15-18(2)3/h11,13,18,20,22,24-27H,4,8-10,12,14-17H2,1-3,5-7H3/b21-11+
InChIKeyCZSXUQDEJKGNNE-SRZZPIQSSA-N
MW375.64 g/mol
LogP6.43
Rot. Bonds12

About (E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol

(E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol (PubChem CID 142141543) has the molecular formula C25H45NO and a molecular weight of 375.64 g/mol. Its IUPAC name is (E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol.

Molecular Properties

Compound Name(E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol
PubChem CID142141543
Molecular FormulaC25H45NO
Molecular Weight375.64 g/mol
Exact Mass375.35
IUPAC Name(E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol
SMILESC=C(C)C(CC(C)C)NC(CO)CC(CC)C/C=C(\C)C1=CCC(C)CC1
InChIInChI=1S/C25H45NO/c1-8-22(12-11-21(7)23-13-9-20(6)10-14-23)16-24(17-27)26-25(19(4)5)15-18(2)3/h11,13,18,20,22,24-27H,4,8-10,12,14-17H2,1-3,5-7H3/b21-11+
InChIKeyCZSXUQDEJKGNNE-SRZZPIQSSA-N
XLogP6.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.64
LogP ≤ 56.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol?
The IUPAC name of (E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol (CID 142141543) is (E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol.
What is the SMILES notation for (E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol?
The canonical SMILES for (E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol is C=C(C)C(CC(C)C)NC(CO)CC(CC)C/C=C(\C)C1=CCC(C)CC1.
What is the InChIKey of (E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol?
The InChIKey is CZSXUQDEJKGNNE-SRZZPIQSSA-N. The full InChI is InChI=1S/C25H45NO/c1-8-22(12-11-21(7)23-13-9-20(6)10-14-23)16-24(17-27)26-25(19(4)5)15-18(2)3/h11,13,18,20,22,24-27H,4,8-10,12,14-17H2,1-3,5-7H3/b21-11+.
What are the key properties of (E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol?
(E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol has a molecular weight of 375.64 g/mol, XLogP of 6.43, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2,5-dimethylhex-1-en-3-ylamino)-4-ethyl-7-(4-methylcyclohexen-1-yl)oct-6-en-1-ol is sourced from PubChem (CID 142141543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).