1-[(4,4,7-trimethyl-2-methylideneoct-7-enyl)amino]ethanol

C14H27NO — CID 145266384

IUPAC1-[(4,4,7-trimethyl-2-methylideneoct-7-enyl)amino]ethanol
SMILESC=C(C)CCC(C)(C)CC(=C)CNC(C)O
InChIInChI=1S/C14H27NO/c1-11(2)7-8-14(5,6)9-12(3)10-15-13(4)16/h13,15-16H,1,3,7-10H2,2,4-6H3
InChIKeyYVXNMDANMVBENA-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.24
Rot. Bonds8

About 1-[(4,4,7-trimethyl-2-methylideneoct-7-enyl)amino]ethanol

1-[(4,4,7-trimethyl-2-methylideneoct-7-enyl)amino]ethanol (PubChem CID 145266384) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[(4,4,7-trimethyl-2-methylideneoct-7-enyl)amino]ethanol.

Molecular Properties

Compound Name1-[(4,4,7-trimethyl-2-methylideneoct-7-enyl)amino]ethanol
PubChem CID145266384
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[(4,4,7-trimethyl-2-methylideneoct-7-enyl)amino]ethanol
SMILESC=C(C)CCC(C)(C)CC(=C)CNC(C)O
InChIInChI=1S/C14H27NO/c1-11(2)7-8-14(5,6)9-12(3)10-15-13(4)16/h13,15-16H,1,3,7-10H2,2,4-6H3
InChIKeyYVXNMDANMVBENA-UHFFFAOYSA-N
XLogP3.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4,7-trimethyl-2-methylideneoct-7-enyl)amino]ethanol?
The IUPAC name of 1-[(4,4,7-trimethyl-2-methylideneoct-7-enyl)amino]ethanol (CID 145266384) is 1-[(4,4,7-trimethyl-2-methylideneoct-7-enyl)amino]ethanol.
What is the SMILES notation for 1-[(4,4,7-trimethyl-2-methylideneoct-7-enyl)amino]ethanol?
The canonical SMILES for 1-[(4,4,7-trimethyl-2-methylideneoct-7-enyl)amino]ethanol is C=C(C)CCC(C)(C)CC(=C)CNC(C)O.
What is the InChIKey of 1-[(4,4,7-trimethyl-2-methylideneoct-7-enyl)amino]ethanol?
The InChIKey is YVXNMDANMVBENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)7-8-14(5,6)9-12(3)10-15-13(4)16/h13,15-16H,1,3,7-10H2,2,4-6H3.
What are the key properties of 1-[(4,4,7-trimethyl-2-methylideneoct-7-enyl)amino]ethanol?
1-[(4,4,7-trimethyl-2-methylideneoct-7-enyl)amino]ethanol has a molecular weight of 225.38 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4,7-trimethyl-2-methylideneoct-7-enyl)amino]ethanol is sourced from PubChem (CID 145266384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).