(4-ethanimidoylcycloheptyl)methanol

C10H19NO — CID 142132644

IUPAC(4-ethanimidoylcycloheptyl)methanol
SMILES[H]/N=C(\C)C1CCCC(CO)CC1
InChIInChI=1S/C10H19NO/c1-8(11)10-4-2-3-9(7-12)5-6-10/h9-12H,2-7H2,1H3/b11-8+
InChIKeyXAVSSPZIYXALSS-DHZHZOJOSA-N
MW169.27 g/mol
LogP2.21
Rot. Bonds2

About (4-ethanimidoylcycloheptyl)methanol

(4-ethanimidoylcycloheptyl)methanol (PubChem CID 142132644) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (4-ethanimidoylcycloheptyl)methanol.

Molecular Properties

Compound Name(4-ethanimidoylcycloheptyl)methanol
PubChem CID142132644
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(4-ethanimidoylcycloheptyl)methanol
SMILES[H]/N=C(\C)C1CCCC(CO)CC1
InChIInChI=1S/C10H19NO/c1-8(11)10-4-2-3-9(7-12)5-6-10/h9-12H,2-7H2,1H3/b11-8+
InChIKeyXAVSSPZIYXALSS-DHZHZOJOSA-N
XLogP2.21
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-cyclooctylethanimine
CID 142132470
cyclobutylmethanol;ethanol
CID 68532840
cyclohexane;[4-(hydroxymethyl)cyclohexyl]methanol;methanol
CID 19012640
cyclotetradecylmethanol
CID 23468347
N-(cyclobutylmethyl)-4-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
CID 115151230
1-[5-(hydroxymethyl)cyclononyl]-2-methylpropan-1-one
CID 91067725
cyclobutylmethanol;methanesulfonic acid
CID 71380993
ethane;1-[4-(hydroxymethyl)cyclohexyl]ethanone;methoxymethane
CID 144882385
cyclobutylmethyl ethanimidothioate
CID 142153982
1-cyclopropylpropan-2-imine
CID 146731572
methyl 3-ethylcyclohexane-1-carboximidate
CID 65415415
1-[(3R)-pyrrolidin-3-yl]ethanimine
CID 142640278

Frequently Asked Questions

What is the IUPAC name of (4-ethanimidoylcycloheptyl)methanol?
The IUPAC name of (4-ethanimidoylcycloheptyl)methanol (CID 142132644) is (4-ethanimidoylcycloheptyl)methanol.
What is the SMILES notation for (4-ethanimidoylcycloheptyl)methanol?
The canonical SMILES for (4-ethanimidoylcycloheptyl)methanol is [H]/N=C(\C)C1CCCC(CO)CC1.
What is the InChIKey of (4-ethanimidoylcycloheptyl)methanol?
The InChIKey is XAVSSPZIYXALSS-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(11)10-4-2-3-9(7-12)5-6-10/h9-12H,2-7H2,1H3/b11-8+.
What are the key properties of (4-ethanimidoylcycloheptyl)methanol?
(4-ethanimidoylcycloheptyl)methanol has a molecular weight of 169.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethanimidoylcycloheptyl)methanol is sourced from PubChem (CID 142132644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).