(2R)-1-(2-methylpent-4-en-2-ylamino)propan-2-ol

C9H19NO — CID 54029105

IUPAC(2R)-1-(2-methylpent-4-en-2-ylamino)propan-2-ol
SMILESC=CCC(C)(C)NC[C@@H](C)O
InChIInChI=1S/C9H19NO/c1-5-6-9(3,4)10-7-8(2)11/h5,8,10-11H,1,6-7H2,2-4H3/t8-/m1/s1
InChIKeyICJWCGNMICKBKJ-MRVPVSSYSA-N
MW157.26 g/mol
LogP1.31
Rot. Bonds5

About (2R)-1-(2-methylpent-4-en-2-ylamino)propan-2-ol

(2R)-1-(2-methylpent-4-en-2-ylamino)propan-2-ol (PubChem CID 54029105) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2R)-1-(2-methylpent-4-en-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-methylpent-4-en-2-ylamino)propan-2-ol
PubChem CID54029105
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2R)-1-(2-methylpent-4-en-2-ylamino)propan-2-ol
SMILESC=CCC(C)(C)NC[C@@H](C)O
InChIInChI=1S/C9H19NO/c1-5-6-9(3,4)10-7-8(2)11/h5,8,10-11H,1,6-7H2,2-4H3/t8-/m1/s1
InChIKeyICJWCGNMICKBKJ-MRVPVSSYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methylpent-4-en-2-ylamino)propan-2-ol?
The IUPAC name of (2R)-1-(2-methylpent-4-en-2-ylamino)propan-2-ol (CID 54029105) is (2R)-1-(2-methylpent-4-en-2-ylamino)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-methylpent-4-en-2-ylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(2-methylpent-4-en-2-ylamino)propan-2-ol is C=CCC(C)(C)NC[C@@H](C)O.
What is the InChIKey of (2R)-1-(2-methylpent-4-en-2-ylamino)propan-2-ol?
The InChIKey is ICJWCGNMICKBKJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-9(3,4)10-7-8(2)11/h5,8,10-11H,1,6-7H2,2-4H3/t8-/m1/s1.
What are the key properties of (2R)-1-(2-methylpent-4-en-2-ylamino)propan-2-ol?
(2R)-1-(2-methylpent-4-en-2-ylamino)propan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methylpent-4-en-2-ylamino)propan-2-ol is sourced from PubChem (CID 54029105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).