5-amino-6-methylhept-1-yn-4-ol

C8H15NO — CID 164658366

IUPAC5-amino-6-methylhept-1-yn-4-ol
SMILESC#CCC(O)C(N)C(C)C
InChIInChI=1S/C8H15NO/c1-4-5-7(10)8(9)6(2)3/h1,6-8,10H,5,9H2,2-3H3
InChIKeyUZZGDEXMDXECGU-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.35
Rot. Bonds3

About 5-amino-6-methylhept-1-yn-4-ol

5-amino-6-methylhept-1-yn-4-ol (PubChem CID 164658366) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 5-amino-6-methylhept-1-yn-4-ol.

Molecular Properties

Compound Name5-amino-6-methylhept-1-yn-4-ol
PubChem CID164658366
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name5-amino-6-methylhept-1-yn-4-ol
SMILESC#CCC(O)C(N)C(C)C
InChIInChI=1S/C8H15NO/c1-4-5-7(10)8(9)6(2)3/h1,6-8,10H,5,9H2,2-3H3
InChIKeyUZZGDEXMDXECGU-UHFFFAOYSA-N
XLogP0.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.35
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

(3S)-2-methylhex-5-yn-3-ol
CID 11789160
(4R)-5-ethylhept-1-yn-4-ol
CID 130123346
3-hydroxyhex-5-yn-2-yl carbamate
CID 175152503
3-propan-2-ylhex-5-yn-1-amine
CID 163845420
1,1-diethoxypent-4-yn-2-ol
CID 79495751
hept-6-yne-2,4-diamine
CID 87584005
2-cyclopropylhex-5-yn-3-amine
CID 114977736
1,1,1-trifluoro-2-(trifluoromethyl)hex-5-yn-3-ol
CID 103312677
2-amino-2-methylhex-5-yn-3-ol
CID 130589365
(4S,5R)-5-methyloct-7-yne-1,4-diol
CID 16756947
pent-4-yn-2-yl (2S)-2-hydroxypropanoate
CID 131206663
ethyl 4-amino-3-hydroxy-5-methylhexanoate
CID 11424041

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-methylhept-1-yn-4-ol?
The IUPAC name of 5-amino-6-methylhept-1-yn-4-ol (CID 164658366) is 5-amino-6-methylhept-1-yn-4-ol.
What is the SMILES notation for 5-amino-6-methylhept-1-yn-4-ol?
The canonical SMILES for 5-amino-6-methylhept-1-yn-4-ol is C#CCC(O)C(N)C(C)C.
What is the InChIKey of 5-amino-6-methylhept-1-yn-4-ol?
The InChIKey is UZZGDEXMDXECGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-7(10)8(9)6(2)3/h1,6-8,10H,5,9H2,2-3H3.
What are the key properties of 5-amino-6-methylhept-1-yn-4-ol?
5-amino-6-methylhept-1-yn-4-ol has a molecular weight of 141.21 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-methylhept-1-yn-4-ol is sourced from PubChem (CID 164658366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).