1-(2-methylhex-5-en-3-ylamino)propan-2-ol

C10H21NO — CID 2772037

IUPAC1-(2-methylhex-5-en-3-ylamino)propan-2-ol
SMILESC=CCC(NCC(C)O)C(C)C
InChIInChI=1S/C10H21NO/c1-5-6-10(8(2)3)11-7-9(4)12/h5,8-12H,1,6-7H2,2-4H3
InChIKeyAMIFYBJJDWGDDG-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.56
Rot. Bonds6

About 1-(2-methylhex-5-en-3-ylamino)propan-2-ol

1-(2-methylhex-5-en-3-ylamino)propan-2-ol (PubChem CID 2772037) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(2-methylhex-5-en-3-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-methylhex-5-en-3-ylamino)propan-2-ol
PubChem CID2772037
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(2-methylhex-5-en-3-ylamino)propan-2-ol
SMILESC=CCC(NCC(C)O)C(C)C
InChIInChI=1S/C10H21NO/c1-5-6-10(8(2)3)11-7-9(4)12/h5,8-12H,1,6-7H2,2-4H3
InChIKeyAMIFYBJJDWGDDG-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylhex-5-en-3-ylamino)propan-2-ol?
The IUPAC name of 1-(2-methylhex-5-en-3-ylamino)propan-2-ol (CID 2772037) is 1-(2-methylhex-5-en-3-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-methylhex-5-en-3-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-methylhex-5-en-3-ylamino)propan-2-ol is C=CCC(NCC(C)O)C(C)C.
What is the InChIKey of 1-(2-methylhex-5-en-3-ylamino)propan-2-ol?
The InChIKey is AMIFYBJJDWGDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-10(8(2)3)11-7-9(4)12/h5,8-12H,1,6-7H2,2-4H3.
What are the key properties of 1-(2-methylhex-5-en-3-ylamino)propan-2-ol?
1-(2-methylhex-5-en-3-ylamino)propan-2-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 1-(2-methylhex-5-en-3-ylamino)propan-2-ol is sourced from PubChem (CID 2772037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).