4-methyl-2-(propan-2-ylamino)pent-1-en-3-ol

C9H19NO — CID 58181699

IUPAC4-methyl-2-(propan-2-ylamino)pent-1-en-3-ol
SMILESC=C(NC(C)C)C(O)C(C)C
InChIInChI=1S/C9H19NO/c1-6(2)9(11)8(5)10-7(3)4/h6-7,9-11H,5H2,1-4H3
InChIKeyZOTFVRSVICYWJA-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds4

About 4-methyl-2-(propan-2-ylamino)pent-1-en-3-ol

4-methyl-2-(propan-2-ylamino)pent-1-en-3-ol (PubChem CID 58181699) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-methyl-2-(propan-2-ylamino)pent-1-en-3-ol.

Molecular Properties

Compound Name4-methyl-2-(propan-2-ylamino)pent-1-en-3-ol
PubChem CID58181699
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-methyl-2-(propan-2-ylamino)pent-1-en-3-ol
SMILESC=C(NC(C)C)C(O)C(C)C
InChIInChI=1S/C9H19NO/c1-6(2)9(11)8(5)10-7(3)4/h6-7,9-11H,5H2,1-4H3
InChIKeyZOTFVRSVICYWJA-UHFFFAOYSA-N
XLogP1.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(propan-2-ylamino)pent-1-en-3-ol?
The IUPAC name of 4-methyl-2-(propan-2-ylamino)pent-1-en-3-ol (CID 58181699) is 4-methyl-2-(propan-2-ylamino)pent-1-en-3-ol.
What is the SMILES notation for 4-methyl-2-(propan-2-ylamino)pent-1-en-3-ol?
The canonical SMILES for 4-methyl-2-(propan-2-ylamino)pent-1-en-3-ol is C=C(NC(C)C)C(O)C(C)C.
What is the InChIKey of 4-methyl-2-(propan-2-ylamino)pent-1-en-3-ol?
The InChIKey is ZOTFVRSVICYWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6(2)9(11)8(5)10-7(3)4/h6-7,9-11H,5H2,1-4H3.
What are the key properties of 4-methyl-2-(propan-2-ylamino)pent-1-en-3-ol?
4-methyl-2-(propan-2-ylamino)pent-1-en-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(propan-2-ylamino)pent-1-en-3-ol is sourced from PubChem (CID 58181699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).