1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol

C12H23NO — CID 115751327

IUPAC1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol
SMILESC=CCCC(NCC(C)(C)O)C1CC1
InChIInChI=1S/C12H23NO/c1-4-5-6-11(10-7-8-10)13-9-12(2,3)14/h4,10-11,13-14H,1,5-9H2,2-3H3
InChIKeyXLXVEBFNORGNTC-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.09
Rot. Bonds7

About 1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol

1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol (PubChem CID 115751327) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol
PubChem CID115751327
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol
SMILESC=CCCC(NCC(C)(C)O)C1CC1
InChIInChI=1S/C12H23NO/c1-4-5-6-11(10-7-8-10)13-9-12(2,3)14/h4,10-11,13-14H,1,5-9H2,2-3H3
InChIKeyXLXVEBFNORGNTC-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.09
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

3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol
CID 115894959
1-(1-cyclohexylbutylamino)-2-methylpropan-2-ol
CID 115718648
1-(1-cyclopropylpent-4-enylamino)pentan-3-ol
CID 115751518
1-(4-tert-butylcyclohexyl)-N-methylpent-4-en-1-amine
CID 65400751
4-(1-cyclopropylpent-4-enylamino)-1-methoxybutan-2-ol
CID 115897166
1-[4-(trifluoromethyl)cyclohexyl]pent-4-enylhydrazine
CID 105311638
3-[(1-cyclopropylpent-4-enylamino)methyl]oxolan-3-ol
CID 115896395
3-(1-cyclopropylpent-4-enylamino)butanamide
CID 115867757
1-(1-cyclopropylbutylamino)-2,3-dimethylpentan-2-ol
CID 115769996
tert-butyl 3-[1-(ethylamino)pent-4-enyl]pyrrolidine-1-carboxylate
CID 107092460
(1R)-1-cyclopropylpent-4-en-1-ol
CID 96581912
1-(4-butylcyclohexyl)-N-propylhex-5-en-1-amine
CID 104987009

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol (CID 115751327) is 1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol is C=CCCC(NCC(C)(C)O)C1CC1.
What is the InChIKey of 1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol?
The InChIKey is XLXVEBFNORGNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-5-6-11(10-7-8-10)13-9-12(2,3)14/h4,10-11,13-14H,1,5-9H2,2-3H3.
What are the key properties of 1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol?
1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 115751327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).