1-(3-methylbut-3-enylamino)pentan-2-ol

C10H21NO — CID 114472587

IUPAC1-(3-methylbut-3-enylamino)pentan-2-ol
SMILESC=C(C)CCNCC(O)CCC
InChIInChI=1S/C10H21NO/c1-4-5-10(12)8-11-7-6-9(2)3/h10-12H,2,4-8H2,1,3H3
InChIKeyCLEHSYIJVVLIHK-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.70
Rot. Bonds7

About 1-(3-methylbut-3-enylamino)pentan-2-ol

1-(3-methylbut-3-enylamino)pentan-2-ol (PubChem CID 114472587) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(3-methylbut-3-enylamino)pentan-2-ol.

Molecular Properties

Compound Name1-(3-methylbut-3-enylamino)pentan-2-ol
PubChem CID114472587
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(3-methylbut-3-enylamino)pentan-2-ol
SMILESC=C(C)CCNCC(O)CCC
InChIInChI=1S/C10H21NO/c1-4-5-10(12)8-11-7-6-9(2)3/h10-12H,2,4-8H2,1,3H3
InChIKeyCLEHSYIJVVLIHK-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

3-Fluoro-3,4-dimethyl-1-(methylamino)pent-4-en-2-ol
CID 146962712
6-(Ethylamino)-4-methylidenehexan-1-ol
CID 88529932
3-Methylidene-5-(propylamino)pentan-1-ol
CID 89263797
1-(Pentylamino)pent-4-en-2-ol
CID 89762074
(2S)-1-[[(E)-3-amino-2-methylbut-1-enyl]amino]pentan-2-ol
CID 90454009
1-(Prop-2-enylamino)pentan-2-ol
CID 116265440
1-(Cyclopropylamino)-3-methylidenepentan-2-ol
CID 131995151
4-Methyl-1-(methylamino)pent-4-en-2-ol
CID 134463398
Ethane;4-methyl-2-(methylamino)pent-4-en-1-ol
CID 142030684
Methane;4-methylidenepiperidin-3-ol
CID 143089265
1-[(3-Methylcyclopropen-1-yl)amino]pentan-2-ol
CID 146358543
2-Methyl-5-(3-methylidenehexylamino)pent-1-en-3-ol
CID 155017470

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-3-enylamino)pentan-2-ol?
The IUPAC name of 1-(3-methylbut-3-enylamino)pentan-2-ol (CID 114472587) is 1-(3-methylbut-3-enylamino)pentan-2-ol.
What is the SMILES notation for 1-(3-methylbut-3-enylamino)pentan-2-ol?
The canonical SMILES for 1-(3-methylbut-3-enylamino)pentan-2-ol is C=C(C)CCNCC(O)CCC.
What is the InChIKey of 1-(3-methylbut-3-enylamino)pentan-2-ol?
The InChIKey is CLEHSYIJVVLIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-10(12)8-11-7-6-9(2)3/h10-12H,2,4-8H2,1,3H3.
What are the key properties of 1-(3-methylbut-3-enylamino)pentan-2-ol?
1-(3-methylbut-3-enylamino)pentan-2-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 1-(3-methylbut-3-enylamino)pentan-2-ol is sourced from PubChem (CID 114472587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).