3-(but-3-ynylamino)-4-methylpentan-1-ol

C10H19NO — CID 104892114

IUPAC3-(but-3-ynylamino)-4-methylpentan-1-ol
SMILESC#CCCNC(CCO)C(C)C
InChIInChI=1S/C10H19NO/c1-4-5-7-11-10(6-8-12)9(2)3/h1,9-12H,5-8H2,2-3H3
InChIKeySJHHFQUKFRRRKH-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.01
Rot. Bonds6

About 3-(but-3-ynylamino)-4-methylpentan-1-ol

3-(but-3-ynylamino)-4-methylpentan-1-ol (PubChem CID 104892114) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(but-3-ynylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-(but-3-ynylamino)-4-methylpentan-1-ol
PubChem CID104892114
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(but-3-ynylamino)-4-methylpentan-1-ol
SMILESC#CCCNC(CCO)C(C)C
InChIInChI=1S/C10H19NO/c1-4-5-7-11-10(6-8-12)9(2)3/h1,9-12H,5-8H2,2-3H3
InChIKeySJHHFQUKFRRRKH-UHFFFAOYSA-N
XLogP1.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-3-(3-methylbutylamino)pentan-1-ol
CID 104696133
3-(2-methoxyethylamino)-4-methylpentan-1-ol
CID 104696168
3-(pent-4-ynylamino)butan-1-ol
CID 115977666
3-[2-(tert-butylamino)ethylamino]-4-methylpentan-1-ol
CID 106348698
4-methyl-3-(nonylamino)pentan-1-ol
CID 106349451
3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid
CID 106349414
(2S)-2-(but-3-ynylamino)propanoic acid
CID 83194577
(2R)-2-(but-3-ynylamino)propanoic acid
CID 83194835
methyl 4-[(1-hydroxy-4-methylpentan-3-yl)amino]butanoate
CID 104891908
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide
CID 104696201
4-methyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol
CID 107470448
1-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]cyclohexan-1-ol
CID 104892073

Frequently Asked Questions

What is the IUPAC name of 3-(but-3-ynylamino)-4-methylpentan-1-ol?
The IUPAC name of 3-(but-3-ynylamino)-4-methylpentan-1-ol (CID 104892114) is 3-(but-3-ynylamino)-4-methylpentan-1-ol.
What is the SMILES notation for 3-(but-3-ynylamino)-4-methylpentan-1-ol?
The canonical SMILES for 3-(but-3-ynylamino)-4-methylpentan-1-ol is C#CCCNC(CCO)C(C)C.
What is the InChIKey of 3-(but-3-ynylamino)-4-methylpentan-1-ol?
The InChIKey is SJHHFQUKFRRRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-7-11-10(6-8-12)9(2)3/h1,9-12H,5-8H2,2-3H3.
What are the key properties of 3-(but-3-ynylamino)-4-methylpentan-1-ol?
3-(but-3-ynylamino)-4-methylpentan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(but-3-ynylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 104892114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).