1-(propan-2-ylamino)hept-5-yn-2-ol

C10H19NO — CID 104813059

IUPAC1-(propan-2-ylamino)hept-5-yn-2-ol
SMILESCC#CCCC(O)CNC(C)C
InChIInChI=1S/C10H19NO/c1-4-5-6-7-10(12)8-11-9(2)3/h9-12H,6-8H2,1-3H3
InChIKeyGPBFIMTZHWVMGM-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.15
Rot. Bonds5

About 1-(propan-2-ylamino)hept-5-yn-2-ol

1-(propan-2-ylamino)hept-5-yn-2-ol (PubChem CID 104813059) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-(propan-2-ylamino)hept-5-yn-2-ol.

Molecular Properties

Compound Name1-(propan-2-ylamino)hept-5-yn-2-ol
PubChem CID104813059
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-(propan-2-ylamino)hept-5-yn-2-ol
SMILESCC#CCCC(O)CNC(C)C
InChIInChI=1S/C10H19NO/c1-4-5-6-7-10(12)8-11-9(2)3/h9-12H,6-8H2,1-3H3
InChIKeyGPBFIMTZHWVMGM-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(ethylamino)hept-5-yn-2-ol
CID 104813053
1-(tert-butylamino)hept-5-yn-2-ol
CID 104813065
1-(propan-2-ylamino)pentan-2-ol
CID 20554634
1-(2-methoxyethylamino)hept-5-yn-2-ol
CID 104813071
1-propan-2-ylsulfanylhept-5-yn-2-ol
CID 104803843
3-methyloct-6-yn-2-ol
CID 104810026
2-methoxynon-7-yn-4-ol
CID 104804259
(2S)-3-(propan-2-ylamino)propane-1,2-diol
CID 7019748
1-cyclopentylsulfanylhept-5-yn-2-ol
CID 104803851
1-cyclopentyloct-6-yn-3-ol
CID 115833783
1-cycloheptylhept-5-yn-2-ol
CID 115833770
(2R)-1-chloro-3-(propan-2-ylamino)propan-2-ol
CID 12624614

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)hept-5-yn-2-ol?
The IUPAC name of 1-(propan-2-ylamino)hept-5-yn-2-ol (CID 104813059) is 1-(propan-2-ylamino)hept-5-yn-2-ol.
What is the SMILES notation for 1-(propan-2-ylamino)hept-5-yn-2-ol?
The canonical SMILES for 1-(propan-2-ylamino)hept-5-yn-2-ol is CC#CCCC(O)CNC(C)C.
What is the InChIKey of 1-(propan-2-ylamino)hept-5-yn-2-ol?
The InChIKey is GPBFIMTZHWVMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-6-7-10(12)8-11-9(2)3/h9-12H,6-8H2,1-3H3.
What are the key properties of 1-(propan-2-ylamino)hept-5-yn-2-ol?
1-(propan-2-ylamino)hept-5-yn-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)hept-5-yn-2-ol is sourced from PubChem (CID 104813059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).