2-[2-(methylamino)butylamino]propan-2-ol

C8H20N2O — CID 87480587

IUPAC2-[2-(methylamino)butylamino]propan-2-ol
SMILESCCC(CNC(C)(C)O)NC
InChIInChI=1S/C8H20N2O/c1-5-7(9-4)6-10-8(2,3)11/h7,9-11H,5-6H2,1-4H3
InChIKeyIIUKQCOGFTUUNL-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.30
Rot. Bonds5

About 2-[2-(methylamino)butylamino]propan-2-ol

2-[2-(methylamino)butylamino]propan-2-ol (PubChem CID 87480587) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-[2-(methylamino)butylamino]propan-2-ol.

Molecular Properties

Compound Name2-[2-(methylamino)butylamino]propan-2-ol
PubChem CID87480587
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name2-[2-(methylamino)butylamino]propan-2-ol
SMILESCCC(CNC(C)(C)O)NC
InChIInChI=1S/C8H20N2O/c1-5-7(9-4)6-10-8(2,3)11/h7,9-11H,5-6H2,1-4H3
InChIKeyIIUKQCOGFTUUNL-UHFFFAOYSA-N
XLogP0.30
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(pentan-3-ylamino)propan-2-ol
CID 173163807
1-N,2-N-ditert-butylbutane-1,2-diamine
CID 58903016
N-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-amine
CID 62038724
7-methoxy-N,7-dimethyloctan-3-amine
CID 103034550
(NE)-N-[3-[[3-[[(3E)-3-hydroxyimino-2-methylbutan-2-yl]amino]-2-(methylamino)propyl]amino]-3-methylbutan-2-ylidene]hydroxylamine
CID 88571969
1-N-cyclopropyl-2-N-methylbutane-1,2-diamine
CID 116950557
(2R)-2-N-methylbutane-1,2-diamine
CID 94343241
6,6,6-trifluoro-N-methylhexan-3-amine
CID 64566390
N-methyl-1-[2-(methylamino)butoxy]butan-2-amine
CID 90079765
2-(methylamino)butane-1,1,1-triol;hydrochloride
CID 175087154
N,6-dimethyl-5-methylidenehept-6-en-3-amine
CID 163494858
5-(methylamino)heptan-2-one
CID 116956117

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)butylamino]propan-2-ol?
The IUPAC name of 2-[2-(methylamino)butylamino]propan-2-ol (CID 87480587) is 2-[2-(methylamino)butylamino]propan-2-ol.
What is the SMILES notation for 2-[2-(methylamino)butylamino]propan-2-ol?
The canonical SMILES for 2-[2-(methylamino)butylamino]propan-2-ol is CCC(CNC(C)(C)O)NC.
What is the InChIKey of 2-[2-(methylamino)butylamino]propan-2-ol?
The InChIKey is IIUKQCOGFTUUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-5-7(9-4)6-10-8(2,3)11/h7,9-11H,5-6H2,1-4H3.
What are the key properties of 2-[2-(methylamino)butylamino]propan-2-ol?
2-[2-(methylamino)butylamino]propan-2-ol has a molecular weight of 160.26 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)butylamino]propan-2-ol is sourced from PubChem (CID 87480587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).