1-(ethylamino)hept-5-yn-2-ol

C9H17NO — CID 104813053

IUPAC1-(ethylamino)hept-5-yn-2-ol
SMILESCC#CCCC(O)CNCC
InChIInChI=1S/C9H17NO/c1-3-5-6-7-9(11)8-10-4-2/h9-11H,4,6-8H2,1-2H3
InChIKeyWMVNENOBCQAXBQ-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.76
Rot. Bonds5

About 1-(ethylamino)hept-5-yn-2-ol

1-(ethylamino)hept-5-yn-2-ol (PubChem CID 104813053) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(ethylamino)hept-5-yn-2-ol.

Molecular Properties

Compound Name1-(ethylamino)hept-5-yn-2-ol
PubChem CID104813053
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(ethylamino)hept-5-yn-2-ol
SMILESCC#CCCC(O)CNCC
InChIInChI=1S/C9H17NO/c1-3-5-6-7-9(11)8-10-4-2/h9-11H,4,6-8H2,1-2H3
InChIKeyWMVNENOBCQAXBQ-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(ethylamino)hept-5-yn-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methoxyethylamino)hept-5-yn-2-ol
CID 104813071
1-(propan-2-ylamino)hept-5-yn-2-ol
CID 104813059
1-(tert-butylamino)hept-5-yn-2-ol
CID 104813065
1-(ethylamino)hexan-2-ol
CID 54078804
1-(ethylamino)octan-2-ol
CID 62774096
1-(ethylamino)-3-fluoropropan-2-ol
CID 59154890
1-(dimethylamino)-3-(pent-3-ynylamino)propan-2-ol
CID 116643835
1-amino-3-(ethylamino)propan-2-ol
CID 20604769
1-propan-2-ylsulfanylhept-5-yn-2-ol
CID 104803843
2-methoxynon-7-yn-4-ol
CID 104804259
3-methyloct-6-yn-2-ol
CID 104810026
(2S)-1-(ethylamino)-3-[3-[[(2S)-3-(ethylamino)-2-hydroxypropyl]amino]propylamino]propan-2-ol
CID 10356108

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)hept-5-yn-2-ol?
The IUPAC name of 1-(ethylamino)hept-5-yn-2-ol (CID 104813053) is 1-(ethylamino)hept-5-yn-2-ol.
What is the SMILES notation for 1-(ethylamino)hept-5-yn-2-ol?
The canonical SMILES for 1-(ethylamino)hept-5-yn-2-ol is CC#CCCC(O)CNCC.
What is the InChIKey of 1-(ethylamino)hept-5-yn-2-ol?
The InChIKey is WMVNENOBCQAXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-5-6-7-9(11)8-10-4-2/h9-11H,4,6-8H2,1-2H3.
What are the key properties of 1-(ethylamino)hept-5-yn-2-ol?
1-(ethylamino)hept-5-yn-2-ol has a molecular weight of 155.24 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)hept-5-yn-2-ol is sourced from PubChem (CID 104813053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).