[(1Z,7E)-4-amino-7-methylcyclodeca-1,7-dien-1-yl]methanol

C12H21NO — CID 166967627

IUPAC[(1Z,7E)-4-amino-7-methylcyclodeca-1,7-dien-1-yl]methanol
SMILESC/C1=C\CC/C(CO)=C/CC(N)CC1
InChIInChI=1S/C12H21NO/c1-10-3-2-4-11(9-14)6-8-12(13)7-5-10/h3,6,12,14H,2,4-5,7-9,13H2,1H3/b10-3+,11-6-
InChIKeyNGBLBACIGJHKFG-MPUMUABYSA-N
MW195.31 g/mol
LogP2.14
Rot. Bonds1

About [(1Z,7E)-4-amino-7-methylcyclodeca-1,7-dien-1-yl]methanol

[(1Z,7E)-4-amino-7-methylcyclodeca-1,7-dien-1-yl]methanol (PubChem CID 166967627) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is [(1Z,7E)-4-amino-7-methylcyclodeca-1,7-dien-1-yl]methanol.

Molecular Properties

Compound Name[(1Z,7E)-4-amino-7-methylcyclodeca-1,7-dien-1-yl]methanol
PubChem CID166967627
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name[(1Z,7E)-4-amino-7-methylcyclodeca-1,7-dien-1-yl]methanol
SMILESC/C1=C\CC/C(CO)=C/CC(N)CC1
InChIInChI=1S/C12H21NO/c1-10-3-2-4-11(9-14)6-8-12(13)7-5-10/h3,6,12,14H,2,4-5,7-9,13H2,1H3/b10-3+,11-6-
InChIKeyNGBLBACIGJHKFG-MPUMUABYSA-N
XLogP2.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1E,4R,7E,11E)-7,11-dimethyl-4-(6-methylhepta-1,5-dien-2-yl)cyclotetradeca-1,7,11-trien-1-yl]methanol
CID 162947061
(4-methylcyclohex-3-en-1-yl)methanol
CID 564672
(3aR,5Z,9Z,13E,15aS)-6-(hydroxymethyl)-10,14-dimethyl-3-methylidene-3a,4,7,8,11,12,15,15a-octahydrocyclotetradeca[b]furan-2-one
CID 162910969
(5E,9E,13E)-6-(hydroxymethyl)-10,14-dimethyl-3-methylidene-3a,4,7,8,11,12,15,15a-octahydrocyclotetradeca[b]furan-2-one
CID 177465486
(3aR,5Z,9E,13E,15aS)-6-(hydroxymethyl)-10,14-dimethyl-3-methylidene-3a,4,7,8,11,12,15,15a-octahydrocyclotetradeca[b]furan-2-one
CID 24899913
(3S,3aS,6E,10Z,11aS)-10-(hydroxymethyl)-3,6-dimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
CID 163080327
[(4R)-4-propylcyclohexen-1-yl]methanol
CID 163783069
(10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl)methanol
CID 75033990
2-[(1R,3E,7E,11Z)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]prop-2-en-1-ol
CID 162979142
(3-methylcyclohexa-1,3-dien-1-yl)methanol
CID 123140542
4-(hydroxymethyl)cyclohex-3-en-1-ol
CID 130125298
(3aR,15R,15aR)-15-hydroxy-6-(hydroxymethyl)-10,14-dimethyl-3-methylidene-3a,4,7,8,11,12,15,15a-octahydrocyclotetradeca[b]furan-2-one
CID 162854683

Frequently Asked Questions

What is the IUPAC name of [(1Z,7E)-4-amino-7-methylcyclodeca-1,7-dien-1-yl]methanol?
The IUPAC name of [(1Z,7E)-4-amino-7-methylcyclodeca-1,7-dien-1-yl]methanol (CID 166967627) is [(1Z,7E)-4-amino-7-methylcyclodeca-1,7-dien-1-yl]methanol.
What is the SMILES notation for [(1Z,7E)-4-amino-7-methylcyclodeca-1,7-dien-1-yl]methanol?
The canonical SMILES for [(1Z,7E)-4-amino-7-methylcyclodeca-1,7-dien-1-yl]methanol is C/C1=C\CC/C(CO)=C/CC(N)CC1.
What is the InChIKey of [(1Z,7E)-4-amino-7-methylcyclodeca-1,7-dien-1-yl]methanol?
The InChIKey is NGBLBACIGJHKFG-MPUMUABYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-3-2-4-11(9-14)6-8-12(13)7-5-10/h3,6,12,14H,2,4-5,7-9,13H2,1H3/b10-3+,11-6-.
What are the key properties of [(1Z,7E)-4-amino-7-methylcyclodeca-1,7-dien-1-yl]methanol?
[(1Z,7E)-4-amino-7-methylcyclodeca-1,7-dien-1-yl]methanol has a molecular weight of 195.31 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,7E)-4-amino-7-methylcyclodeca-1,7-dien-1-yl]methanol is sourced from PubChem (CID 166967627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).