1-(dimethylamino)-3-(pent-3-ynylamino)propan-2-ol

C10H20N2O — CID 116643835

IUPAC1-(dimethylamino)-3-(pent-3-ynylamino)propan-2-ol
SMILESCC#CCCNCC(O)CN(C)C
InChIInChI=1S/C10H20N2O/c1-4-5-6-7-11-8-10(13)9-12(2)3/h10-11,13H,6-9H2,1-3H3
InChIKeyNQHOSIHYUYCULB-UHFFFAOYSA-N
MW184.28 g/mol
LogP-0.09
Rot. Bonds6

About 1-(dimethylamino)-3-(pent-3-ynylamino)propan-2-ol

1-(dimethylamino)-3-(pent-3-ynylamino)propan-2-ol (PubChem CID 116643835) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(pent-3-ynylamino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(pent-3-ynylamino)propan-2-ol
PubChem CID116643835
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(dimethylamino)-3-(pent-3-ynylamino)propan-2-ol
SMILESCC#CCCNCC(O)CN(C)C
InChIInChI=1S/C10H20N2O/c1-4-5-6-7-11-8-10(13)9-12(2)3/h10-11,13H,6-9H2,1-3H3
InChIKeyNQHOSIHYUYCULB-UHFFFAOYSA-N
XLogP-0.09
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(butylamino)-3-(dimethylamino)propan-2-ol
CID 60897874
1-(2-methoxyethylamino)hept-5-yn-2-ol
CID 104813071
1-(dimethylamino)-3-(2-pyrrolidin-1-ylethylamino)propan-2-ol
CID 62641762
1-(dimethylamino)-3-(methylamino)propan-2-ol
CID 12700841
2-amino-3-(pent-3-ynylamino)propanamide
CID 103266574
1-(ethylamino)hept-5-yn-2-ol
CID 104813053
1-(dimethylamino)-3-(3-pyrrolidin-1-ylpropylamino)propan-2-ol
CID 62991874
2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N,N-dimethylacetamide
CID 60902161
1-(2-ethylcyclohexyl)oxy-3-(pent-3-ynylamino)propan-2-ol
CID 116643947
N-methyl-2-(pent-3-ynylamino)-N-propan-2-ylacetamide
CID 116643823
2-[2-hydroxy-3-(pent-3-ynylamino)propoxy]benzonitrile
CID 116643978
2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-ethylacetamide
CID 60910441

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(pent-3-ynylamino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-(pent-3-ynylamino)propan-2-ol (CID 116643835) is 1-(dimethylamino)-3-(pent-3-ynylamino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(pent-3-ynylamino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-(pent-3-ynylamino)propan-2-ol is CC#CCCNCC(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-(pent-3-ynylamino)propan-2-ol?
The InChIKey is NQHOSIHYUYCULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-5-6-7-11-8-10(13)9-12(2)3/h10-11,13H,6-9H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-(pent-3-ynylamino)propan-2-ol?
1-(dimethylamino)-3-(pent-3-ynylamino)propan-2-ol has a molecular weight of 184.28 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(pent-3-ynylamino)propan-2-ol is sourced from PubChem (CID 116643835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).