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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Related Compounds

CID 71157139
CID 71157139
CID 118964544
CID 118964544
CID 166167866
CID 166167866
CID 176555133
CID 176555133
CID 170615602
CID 170615602

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).