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

C13H25NO2 — CID 115897166

IUPAC4-(1-cyclopropylpent-4-enylamino)-1-methoxybutan-2-ol
SMILESC=CCCC(NCCC(O)COC)C1CC1
InChIInChI=1S/C13H25NO2/c1-3-4-5-13(11-6-7-11)14-9-8-12(15)10-16-2/h3,11-15H,1,4-10H2,2H3
InChIKeyULTRFDYPCHTVTO-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.72
Rot. Bonds10

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

4-(1-cyclopropylpent-4-enylamino)-1-methoxybutan-2-ol (PubChem CID 115897166) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-(1-cyclopropylpent-4-enylamino)-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-(1-cyclopropylpent-4-enylamino)-1-methoxybutan-2-ol
PubChem CID115897166
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-(1-cyclopropylpent-4-enylamino)-1-methoxybutan-2-ol
SMILESC=CCCC(NCCC(O)COC)C1CC1
InChIInChI=1S/C13H25NO2/c1-3-4-5-13(11-6-7-11)14-9-8-12(15)10-16-2/h3,11-15H,1,4-10H2,2H3
InChIKeyULTRFDYPCHTVTO-UHFFFAOYSA-N
XLogP1.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-cyclopropylpent-4-enylamino)pentan-3-ol
CID 115751518
2-cyclopropyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetic acid
CID 106248256
1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol
CID 115751327
3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol
CID 115894959
1-methoxy-4-[(4-propan-2-ylcyclohexyl)amino]butan-2-ol
CID 103876423
2-cyclopropyl-N-(3-hydroxy-4-methoxybutyl)propanamide
CID 103877567
1-methoxy-4-[1-(oxolan-3-yl)ethylamino]butan-2-ol
CID 103906098
1-methoxy-3-(oct-7-en-4-ylamino)propan-2-ol
CID 115721276
4-[[cyclopropyl(thiophen-2-yl)methyl]amino]-1-methoxybutan-2-ol
CID 103911516
1-(4-butylcyclohexyl)-N-propylhex-5-en-1-amine
CID 104987009
3-(1-cyclopropylpent-4-enylamino)butanamide
CID 115867757
4-(cycloheptylmethylamino)-1-methoxybutan-2-ol
CID 103876173

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylpent-4-enylamino)-1-methoxybutan-2-ol?
The IUPAC name of 4-(1-cyclopropylpent-4-enylamino)-1-methoxybutan-2-ol (CID 115897166) is 4-(1-cyclopropylpent-4-enylamino)-1-methoxybutan-2-ol.
What is the SMILES notation for 4-(1-cyclopropylpent-4-enylamino)-1-methoxybutan-2-ol?
The canonical SMILES for 4-(1-cyclopropylpent-4-enylamino)-1-methoxybutan-2-ol is C=CCCC(NCCC(O)COC)C1CC1.
What is the InChIKey of 4-(1-cyclopropylpent-4-enylamino)-1-methoxybutan-2-ol?
The InChIKey is ULTRFDYPCHTVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-4-5-13(11-6-7-11)14-9-8-12(15)10-16-2/h3,11-15H,1,4-10H2,2H3.
What are the key properties of 4-(1-cyclopropylpent-4-enylamino)-1-methoxybutan-2-ol?
4-(1-cyclopropylpent-4-enylamino)-1-methoxybutan-2-ol has a molecular weight of 227.35 g/mol, XLogP of 1.72, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylpent-4-enylamino)-1-methoxybutan-2-ol is sourced from PubChem (CID 115897166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).