2-[[bis(prop-2-enyl)amino]methyl]cyclopentan-1-ol

C12H21NO — CID 62610945

IUPAC2-[[bis(prop-2-enyl)amino]methyl]cyclopentan-1-ol
SMILESC=CCN(CC=C)CC1CCCC1O
InChIInChI=1S/C12H21NO/c1-3-8-13(9-4-2)10-11-6-5-7-12(11)14/h3-4,11-12,14H,1-2,5-10H2
InChIKeyZOHGRRFLMIMZCE-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.82
Rot. Bonds6

About 2-[[bis(prop-2-enyl)amino]methyl]cyclopentan-1-ol

2-[[bis(prop-2-enyl)amino]methyl]cyclopentan-1-ol (PubChem CID 62610945) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[[bis(prop-2-enyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[bis(prop-2-enyl)amino]methyl]cyclopentan-1-ol
PubChem CID62610945
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-[[bis(prop-2-enyl)amino]methyl]cyclopentan-1-ol
SMILESC=CCN(CC=C)CC1CCCC1O
InChIInChI=1S/C12H21NO/c1-3-8-13(9-4-2)10-11-6-5-7-12(11)14/h3-4,11-12,14H,1-2,5-10H2
InChIKeyZOHGRRFLMIMZCE-UHFFFAOYSA-N
XLogP1.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.82
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-[[bis(prop-2-enyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]cyclopentan-1-ol (CID 62610945) is 2-[[bis(prop-2-enyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[bis(prop-2-enyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[bis(prop-2-enyl)amino]methyl]cyclopentan-1-ol is C=CCN(CC=C)CC1CCCC1O.
What is the InChIKey of 2-[[bis(prop-2-enyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is ZOHGRRFLMIMZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-8-13(9-4-2)10-11-6-5-7-12(11)14/h3-4,11-12,14H,1-2,5-10H2.
What are the key properties of 2-[[bis(prop-2-enyl)amino]methyl]cyclopentan-1-ol?
2-[[bis(prop-2-enyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(prop-2-enyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 62610945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).