3-methyl-5-(2-methylpropylamino)pent-1-en-3-ol

C10H21NO — CID 66001076

IUPAC3-methyl-5-(2-methylpropylamino)pent-1-en-3-ol
SMILESC=CC(C)(O)CCNCC(C)C
InChIInChI=1S/C10H21NO/c1-5-10(4,12)6-7-11-8-9(2)3/h5,9,11-12H,1,6-8H2,2-4H3
InChIKeySUIXLGKJOXZMII-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.56
Rot. Bonds6

About 3-methyl-5-(2-methylpropylamino)pent-1-en-3-ol

3-methyl-5-(2-methylpropylamino)pent-1-en-3-ol (PubChem CID 66001076) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-methyl-5-(2-methylpropylamino)pent-1-en-3-ol.

Molecular Properties

Compound Name3-methyl-5-(2-methylpropylamino)pent-1-en-3-ol
PubChem CID66001076
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-methyl-5-(2-methylpropylamino)pent-1-en-3-ol
SMILESC=CC(C)(O)CCNCC(C)C
InChIInChI=1S/C10H21NO/c1-5-10(4,12)6-7-11-8-9(2)3/h5,9,11-12H,1,6-8H2,2-4H3
InChIKeySUIXLGKJOXZMII-UHFFFAOYSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.56
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylpropylamino)pent-1-en-3-ol?
The IUPAC name of 3-methyl-5-(2-methylpropylamino)pent-1-en-3-ol (CID 66001076) is 3-methyl-5-(2-methylpropylamino)pent-1-en-3-ol.
What is the SMILES notation for 3-methyl-5-(2-methylpropylamino)pent-1-en-3-ol?
The canonical SMILES for 3-methyl-5-(2-methylpropylamino)pent-1-en-3-ol is C=CC(C)(O)CCNCC(C)C.
What is the InChIKey of 3-methyl-5-(2-methylpropylamino)pent-1-en-3-ol?
The InChIKey is SUIXLGKJOXZMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-10(4,12)6-7-11-8-9(2)3/h5,9,11-12H,1,6-8H2,2-4H3.
What are the key properties of 3-methyl-5-(2-methylpropylamino)pent-1-en-3-ol?
3-methyl-5-(2-methylpropylamino)pent-1-en-3-ol has a molecular weight of 171.28 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylpropylamino)pent-1-en-3-ol is sourced from PubChem (CID 66001076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).