3-[(but-3-enylamino)methyl]pentan-3-ol

C10H21NO — CID 65111710

IUPAC3-[(but-3-enylamino)methyl]pentan-3-ol
SMILESC=CCCNCC(O)(CC)CC
InChIInChI=1S/C10H21NO/c1-4-7-8-11-9-10(12,5-2)6-3/h4,11-12H,1,5-9H2,2-3H3
InChIKeyABAFFMTUTOIOBF-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.70
Rot. Bonds7

About 3-[(but-3-enylamino)methyl]pentan-3-ol

3-[(but-3-enylamino)methyl]pentan-3-ol (PubChem CID 65111710) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-[(but-3-enylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(but-3-enylamino)methyl]pentan-3-ol
PubChem CID65111710
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-[(but-3-enylamino)methyl]pentan-3-ol
SMILESC=CCCNCC(O)(CC)CC
InChIInChI=1S/C10H21NO/c1-4-7-8-11-9-10(12,5-2)6-3/h4,11-12H,1,5-9H2,2-3H3
InChIKeyABAFFMTUTOIOBF-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-1-(methylamino)hex-5-en-2-ol
CID 21583759
4-(Ethylaminomethyl)hepta-1,6-dien-4-ol
CID 87438837
4-[[(2-Hydroxy-2-prop-2-enylpent-4-enyl)amino]methyl]hepta-1,6-dien-4-ol
CID 87691553
4-[(2-Hydroxyethylamino)methyl]hepta-1,6-dien-4-ol
CID 88360206
3-[1-(Methylamino)ethyl]hexa-1,5-dien-3-ol
CID 139814419
4-(Methylaminomethyl)hepta-1,6-dien-4-ol
CID 23007830
1-(Ethylamino)-2,3-dimethylbut-3-en-2-ol
CID 55286025
2-Methyl-1-(pent-4-enylamino)butan-2-ol
CID 65105990
1-(But-3-enylamino)-2-methylbutan-2-ol
CID 65106275
2-Methyl-1-(pent-4-enylamino)propan-2-ol
CID 65107358
1-(But-3-enylamino)-2-methylpropan-2-ol
CID 65107510
2-Methyl-1-(prop-2-enylamino)butan-2-ol
CID 65111136

Frequently Asked Questions

What is the IUPAC name of 3-[(but-3-enylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(but-3-enylamino)methyl]pentan-3-ol (CID 65111710) is 3-[(but-3-enylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(but-3-enylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(but-3-enylamino)methyl]pentan-3-ol is C=CCCNCC(O)(CC)CC.
What is the InChIKey of 3-[(but-3-enylamino)methyl]pentan-3-ol?
The InChIKey is ABAFFMTUTOIOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-7-8-11-9-10(12,5-2)6-3/h4,11-12H,1,5-9H2,2-3H3.
What are the key properties of 3-[(but-3-enylamino)methyl]pentan-3-ol?
3-[(but-3-enylamino)methyl]pentan-3-ol has a molecular weight of 171.28 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(but-3-enylamino)methyl]pentan-3-ol is sourced from PubChem (CID 65111710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).