3-[(prop-2-ynylamino)methyl]hexan-1-ol

C10H19NO — CID 106114791

IUPAC3-[(prop-2-ynylamino)methyl]hexan-1-ol
SMILESC#CCNCC(CCC)CCO
InChIInChI=1S/C10H19NO/c1-3-5-10(6-8-12)9-11-7-4-2/h2,10-12H,3,5-9H2,1H3
InChIKeyKOVVQUIZVYCMAA-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.01
Rot. Bonds7

About 3-[(prop-2-ynylamino)methyl]hexan-1-ol

3-[(prop-2-ynylamino)methyl]hexan-1-ol (PubChem CID 106114791) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-[(prop-2-ynylamino)methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[(prop-2-ynylamino)methyl]hexan-1-ol
PubChem CID106114791
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-[(prop-2-ynylamino)methyl]hexan-1-ol
SMILESC#CCNCC(CCC)CCO
InChIInChI=1S/C10H19NO/c1-3-5-10(6-8-12)9-11-7-4-2/h2,10-12H,3,5-9H2,1H3
InChIKeyKOVVQUIZVYCMAA-UHFFFAOYSA-N
XLogP1.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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

3-[(propan-2-ylamino)methyl]hexan-1-ol
CID 103921662
N-[2-(2-hydroxyethyl)pentyl]prop-2-ynamide
CID 103846773
N-[2-(2-hydroxyethyl)pentyl]pent-4-ynamide
CID 106115864
1-[[2-(2-hydroxyethyl)pentylamino]methyl]cyclopentan-1-ol
CID 106115528
ethane;3-propylhexan-1-ol
CID 142096808
N-[2-[2-(2-hydroxyethyl)pentylamino]ethyl]acetamide
CID 106115320
3-[(4-methoxybutylamino)methyl]hexan-1-ol
CID 106115290
3-[(3-methylsulfonylpropylamino)methyl]hexan-1-ol
CID 106115414
3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol
CID 103707783
3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol
CID 111470613
3-[(pyridin-4-ylmethylamino)methyl]hexan-1-ol
CID 111470632
3-[(hept-6-enylamino)methyl]hexan-1-ol
CID 106115194

Frequently Asked Questions

What is the IUPAC name of 3-[(prop-2-ynylamino)methyl]hexan-1-ol?
The IUPAC name of 3-[(prop-2-ynylamino)methyl]hexan-1-ol (CID 106114791) is 3-[(prop-2-ynylamino)methyl]hexan-1-ol.
What is the SMILES notation for 3-[(prop-2-ynylamino)methyl]hexan-1-ol?
The canonical SMILES for 3-[(prop-2-ynylamino)methyl]hexan-1-ol is C#CCNCC(CCC)CCO.
What is the InChIKey of 3-[(prop-2-ynylamino)methyl]hexan-1-ol?
The InChIKey is KOVVQUIZVYCMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-5-10(6-8-12)9-11-7-4-2/h2,10-12H,3,5-9H2,1H3.
What are the key properties of 3-[(prop-2-ynylamino)methyl]hexan-1-ol?
3-[(prop-2-ynylamino)methyl]hexan-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(prop-2-ynylamino)methyl]hexan-1-ol is sourced from PubChem (CID 106114791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).