1-(1-cyclopropylpent-4-enylamino)pentan-3-ol

C13H25NO — CID 115751518

IUPAC1-(1-cyclopropylpent-4-enylamino)pentan-3-ol
SMILESC=CCCC(NCCC(O)CC)C1CC1
InChIInChI=1S/C13H25NO/c1-3-5-6-13(11-7-8-11)14-10-9-12(15)4-2/h3,11-15H,1,4-10H2,2H3
InChIKeyQQUJXHGSSAPIKD-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.48
Rot. Bonds9

About 1-(1-cyclopropylpent-4-enylamino)pentan-3-ol

1-(1-cyclopropylpent-4-enylamino)pentan-3-ol (PubChem CID 115751518) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(1-cyclopropylpent-4-enylamino)pentan-3-ol.

Molecular Properties

Compound Name1-(1-cyclopropylpent-4-enylamino)pentan-3-ol
PubChem CID115751518
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(1-cyclopropylpent-4-enylamino)pentan-3-ol
SMILESC=CCCC(NCCC(O)CC)C1CC1
InChIInChI=1S/C13H25NO/c1-3-5-6-13(11-7-8-11)14-10-9-12(15)4-2/h3,11-15H,1,4-10H2,2H3
InChIKeyQQUJXHGSSAPIKD-UHFFFAOYSA-N
XLogP2.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.48
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

4-(1-cyclopropylpent-4-enylamino)-1-methoxybutan-2-ol
CID 115897166
1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol
CID 115751327
3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol
CID 115894959
1-(4-butylcyclohexyl)-N-propylhex-5-en-1-amine
CID 104987009
3-(1-cyclopropylpent-4-enylamino)butanamide
CID 115867757
1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine
CID 105153076
methyl 2-cyclopropyl-2-(3-hydroxypentylamino)acetate
CID 103267655
(1R)-1-cyclopropylpent-4-en-1-ol
CID 96581912
1-(3,3-difluorocyclopentyl)-N-propylhex-5-en-1-amine
CID 114216364
1-(oxolan-3-yl)-N-propylhex-5-en-1-amine
CID 65329434
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983
1-(4-tert-butylcyclohexyl)-N-methylpent-4-en-1-amine
CID 65400751

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpent-4-enylamino)pentan-3-ol?
The IUPAC name of 1-(1-cyclopropylpent-4-enylamino)pentan-3-ol (CID 115751518) is 1-(1-cyclopropylpent-4-enylamino)pentan-3-ol.
What is the SMILES notation for 1-(1-cyclopropylpent-4-enylamino)pentan-3-ol?
The canonical SMILES for 1-(1-cyclopropylpent-4-enylamino)pentan-3-ol is C=CCCC(NCCC(O)CC)C1CC1.
What is the InChIKey of 1-(1-cyclopropylpent-4-enylamino)pentan-3-ol?
The InChIKey is QQUJXHGSSAPIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-5-6-13(11-7-8-11)14-10-9-12(15)4-2/h3,11-15H,1,4-10H2,2H3.
What are the key properties of 1-(1-cyclopropylpent-4-enylamino)pentan-3-ol?
1-(1-cyclopropylpent-4-enylamino)pentan-3-ol has a molecular weight of 211.35 g/mol, XLogP of 2.48, 9 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)pentan-3-ol is sourced from PubChem (CID 115751518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).