3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol

C13H30N2O — CID 166090876

IUPAC3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(C)CCCN(CCCO)C(C)C
InChIInChI=1S/C13H30N2O/c1-12(2)14(5)8-6-9-15(13(3)4)10-7-11-16/h12-13,16H,6-11H2,1-5H3
InChIKeyJYUPFMWAZHTYCD-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.81
Rot. Bonds9

About 3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol

3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol (PubChem CID 166090876) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol
PubChem CID166090876
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol
SMILESCC(C)N(C)CCCN(CCCO)C(C)C
InChIInChI=1S/C13H30N2O/c1-12(2)14(5)8-6-9-15(13(3)4)10-7-11-16/h12-13,16H,6-11H2,1-5H3
InChIKeyJYUPFMWAZHTYCD-UHFFFAOYSA-N
XLogP1.81
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol
CID 178129959
4-[3-[methyl(propan-2-yl)amino]propylamino]butan-1-ol
CID 106045730
3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol
CID 175071947
3-[2-(3-methylbutoxy)ethyl-propan-2-ylamino]propan-1-ol
CID 62015016
3-[2,2-dimethoxyethyl(propan-2-yl)amino]propan-1-ol
CID 66221489
3-[pent-3-ynyl(propan-2-yl)amino]propan-1-ol
CID 104810193
N-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]thiohydroxylamine
CID 167101459
3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol
CID 62015613
3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol
CID 107010084
3-[(4-amino-3,3-dimethylbutyl)-propan-2-ylamino]propan-1-ol
CID 65247313
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol (CID 166090876) is 3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol is CC(C)N(C)CCCN(CCCO)C(C)C.
What is the InChIKey of 3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol?
The InChIKey is JYUPFMWAZHTYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-12(2)14(5)8-6-9-15(13(3)4)10-7-11-16/h12-13,16H,6-11H2,1-5H3.
What are the key properties of 3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol?
3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol has a molecular weight of 230.40 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[methyl(propan-2-yl)amino]propyl-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 166090876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).