3-[pent-3-ynyl(propan-2-yl)amino]propan-1-ol

C11H21NO — CID 104810193

IUPAC3-[pent-3-ynyl(propan-2-yl)amino]propan-1-ol
SMILESCC#CCCN(CCCO)C(C)C
InChIInChI=1S/C11H21NO/c1-4-5-6-8-12(11(2)3)9-7-10-13/h11,13H,6-10H2,1-3H3
InChIKeyKDEUGKCQKHQICP-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.49
Rot. Bonds6

About 3-[pent-3-ynyl(propan-2-yl)amino]propan-1-ol

3-[pent-3-ynyl(propan-2-yl)amino]propan-1-ol (PubChem CID 104810193) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-[pent-3-ynyl(propan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[pent-3-ynyl(propan-2-yl)amino]propan-1-ol
PubChem CID104810193
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-[pent-3-ynyl(propan-2-yl)amino]propan-1-ol
SMILESCC#CCCN(CCCO)C(C)C
InChIInChI=1S/C11H21NO/c1-4-5-6-8-12(11(2)3)9-7-10-13/h11,13H,6-10H2,1-3H3
InChIKeyKDEUGKCQKHQICP-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[pent-3-ynyl(propan-2-yl)amino]butanoic acid
CID 104808716
7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol
CID 178129959
3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol
CID 166090876
3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol
CID 175071947
2-[methyl(pent-3-ynyl)amino]ethanol
CID 104744034
3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol
CID 107010084
3-[(3-amino-4,4-dimethylpentyl)-propan-2-ylamino]propan-1-ol
CID 62623197
N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide
CID 76911093
3-[2-(3-methylbutoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62015016
3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol
CID 65247313
3-[2,2-dimethoxyethyl(propan-2-yl)amino]propan-1-ol
CID 66221489
4-[3-hydroxypropyl(propan-2-yl)amino]-2,2-dimethylbutanethioamide
CID 65248852

Frequently Asked Questions

What is the IUPAC name of 3-[pent-3-ynyl(propan-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[pent-3-ynyl(propan-2-yl)amino]propan-1-ol (CID 104810193) is 3-[pent-3-ynyl(propan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[pent-3-ynyl(propan-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[pent-3-ynyl(propan-2-yl)amino]propan-1-ol is CC#CCCN(CCCO)C(C)C.
What is the InChIKey of 3-[pent-3-ynyl(propan-2-yl)amino]propan-1-ol?
The InChIKey is KDEUGKCQKHQICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-5-6-8-12(11(2)3)9-7-10-13/h11,13H,6-10H2,1-3H3.
What are the key properties of 3-[pent-3-ynyl(propan-2-yl)amino]propan-1-ol?
3-[pent-3-ynyl(propan-2-yl)amino]propan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[pent-3-ynyl(propan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 104810193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).