1-(1-cyclopentylethenylamino)-2,2-dimethylpropan-1-ol

C12H23NO — CID 59953169

IUPAC1-(1-cyclopentylethenylamino)-2,2-dimethylpropan-1-ol
SMILESC=C(NC(O)C(C)(C)C)C1CCCC1
InChIInChI=1S/C12H23NO/c1-9(10-7-5-6-8-10)13-11(14)12(2,3)4/h10-11,13-14H,1,5-8H2,2-4H3
InChIKeyKDADBQCXHDISHD-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.64
Rot. Bonds3

About 1-(1-cyclopentylethenylamino)-2,2-dimethylpropan-1-ol

1-(1-cyclopentylethenylamino)-2,2-dimethylpropan-1-ol (PubChem CID 59953169) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(1-cyclopentylethenylamino)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(1-cyclopentylethenylamino)-2,2-dimethylpropan-1-ol
PubChem CID59953169
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(1-cyclopentylethenylamino)-2,2-dimethylpropan-1-ol
SMILESC=C(NC(O)C(C)(C)C)C1CCCC1
InChIInChI=1S/C12H23NO/c1-9(10-7-5-6-8-10)13-11(14)12(2,3)4/h10-11,13-14H,1,5-8H2,2-4H3
InChIKeyKDADBQCXHDISHD-UHFFFAOYSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylethenylamino)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(1-cyclopentylethenylamino)-2,2-dimethylpropan-1-ol (CID 59953169) is 1-(1-cyclopentylethenylamino)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(1-cyclopentylethenylamino)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(1-cyclopentylethenylamino)-2,2-dimethylpropan-1-ol is C=C(NC(O)C(C)(C)C)C1CCCC1.
What is the InChIKey of 1-(1-cyclopentylethenylamino)-2,2-dimethylpropan-1-ol?
The InChIKey is KDADBQCXHDISHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(10-7-5-6-8-10)13-11(14)12(2,3)4/h10-11,13-14H,1,5-8H2,2-4H3.
What are the key properties of 1-(1-cyclopentylethenylamino)-2,2-dimethylpropan-1-ol?
1-(1-cyclopentylethenylamino)-2,2-dimethylpropan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylethenylamino)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 59953169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).