2-hexoxy-N-prop-2-ynylpropan-1-amine

C12H23NO — CID 62599532

IUPAC2-hexoxy-N-prop-2-ynylpropan-1-amine
SMILESC#CCNCC(C)OCCCCCC
InChIInChI=1S/C12H23NO/c1-4-6-7-8-10-14-12(3)11-13-9-5-2/h2,12-13H,4,6-11H2,1,3H3
InChIKeyXBHHCJCCCCLYKL-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds9

About 2-hexoxy-N-prop-2-ynylpropan-1-amine

2-hexoxy-N-prop-2-ynylpropan-1-amine (PubChem CID 62599532) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-hexoxy-N-prop-2-ynylpropan-1-amine.

Molecular Properties

Compound Name2-hexoxy-N-prop-2-ynylpropan-1-amine
PubChem CID62599532
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-hexoxy-N-prop-2-ynylpropan-1-amine
SMILESC#CCNCC(C)OCCCCCC
InChIInChI=1S/C12H23NO/c1-4-6-7-8-10-14-12(3)11-13-9-5-2/h2,12-13H,4,6-11H2,1,3H3
InChIKeyXBHHCJCCCCLYKL-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hexoxy-N-prop-2-ynylpropan-1-amine 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

N-(2-hexoxypropyl)butan-1-amine
CID 62599346
2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598311
2-heptoxy-N-(3-methoxypropyl)propan-1-amine
CID 62597976
2-butoxy-N-ethylpropan-1-amine
CID 62449884
1-hexan-2-yloxydecane
CID 57029724
1-octan-2-yloxydecane
CID 86220707
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
N-(2-propoxypropyl)butan-1-amine
CID 62583755
2-hex-5-ynoxyhexane
CID 54235991
1-(4-methylpentan-2-yloxy)dodecane
CID 15431041

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-N-prop-2-ynylpropan-1-amine?
The IUPAC name of 2-hexoxy-N-prop-2-ynylpropan-1-amine (CID 62599532) is 2-hexoxy-N-prop-2-ynylpropan-1-amine.
What is the SMILES notation for 2-hexoxy-N-prop-2-ynylpropan-1-amine?
The canonical SMILES for 2-hexoxy-N-prop-2-ynylpropan-1-amine is C#CCNCC(C)OCCCCCC.
What is the InChIKey of 2-hexoxy-N-prop-2-ynylpropan-1-amine?
The InChIKey is XBHHCJCCCCLYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-6-7-8-10-14-12(3)11-13-9-5-2/h2,12-13H,4,6-11H2,1,3H3.
What are the key properties of 2-hexoxy-N-prop-2-ynylpropan-1-amine?
2-hexoxy-N-prop-2-ynylpropan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-N-prop-2-ynylpropan-1-amine is sourced from PubChem (CID 62599532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).