[2-[[methyl(prop-2-enyl)amino]methyl]cyclopropyl]methanol

C9H17NO — CID 18434211

IUPAC[2-[[methyl(prop-2-enyl)amino]methyl]cyclopropyl]methanol
SMILESC=CCN(C)CC1CC1CO
InChIInChI=1S/C9H17NO/c1-3-4-10(2)6-8-5-9(8)7-11/h3,8-9,11H,1,4-7H2,2H3
InChIKeyYSDKOGMOVXJWDS-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.73
Rot. Bonds5

About [2-[[methyl(prop-2-enyl)amino]methyl]cyclopropyl]methanol

[2-[[methyl(prop-2-enyl)amino]methyl]cyclopropyl]methanol (PubChem CID 18434211) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [2-[[methyl(prop-2-enyl)amino]methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[2-[[methyl(prop-2-enyl)amino]methyl]cyclopropyl]methanol
PubChem CID18434211
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[2-[[methyl(prop-2-enyl)amino]methyl]cyclopropyl]methanol
SMILESC=CCN(C)CC1CC1CO
InChIInChI=1S/C9H17NO/c1-3-4-10(2)6-8-5-9(8)7-11/h3,8-9,11H,1,4-7H2,2H3
InChIKeyYSDKOGMOVXJWDS-UHFFFAOYSA-N
XLogP0.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
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 [2-[[methyl(prop-2-enyl)amino]methyl]cyclopropyl]methanol?
The IUPAC name of [2-[[methyl(prop-2-enyl)amino]methyl]cyclopropyl]methanol (CID 18434211) is [2-[[methyl(prop-2-enyl)amino]methyl]cyclopropyl]methanol.
What is the SMILES notation for [2-[[methyl(prop-2-enyl)amino]methyl]cyclopropyl]methanol?
The canonical SMILES for [2-[[methyl(prop-2-enyl)amino]methyl]cyclopropyl]methanol is C=CCN(C)CC1CC1CO.
What is the InChIKey of [2-[[methyl(prop-2-enyl)amino]methyl]cyclopropyl]methanol?
The InChIKey is YSDKOGMOVXJWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-4-10(2)6-8-5-9(8)7-11/h3,8-9,11H,1,4-7H2,2H3.
What are the key properties of [2-[[methyl(prop-2-enyl)amino]methyl]cyclopropyl]methanol?
[2-[[methyl(prop-2-enyl)amino]methyl]cyclopropyl]methanol has a molecular weight of 155.24 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[methyl(prop-2-enyl)amino]methyl]cyclopropyl]methanol is sourced from PubChem (CID 18434211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).