1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol

C13H30N2O — CID 62337164

IUPAC1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol
SMILESCCC(C)(CNC(C)C)CN(C)CC(C)O
InChIInChI=1S/C13H30N2O/c1-7-13(5,9-14-11(2)3)10-15(6)8-12(4)16/h11-12,14,16H,7-10H2,1-6H3
InChIKeyHWSWMZNMIZMSFO-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.71
Rot. Bonds8

About 1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol

1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol (PubChem CID 62337164) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol
PubChem CID62337164
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol
SMILESCCC(C)(CNC(C)C)CN(C)CC(C)O
InChIInChI=1S/C13H30N2O/c1-7-13(5,9-14-11(2)3)10-15(6)8-12(4)16/h11-12,14,16H,7-10H2,1-6H3
InChIKeyHWSWMZNMIZMSFO-UHFFFAOYSA-N
XLogP1.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]butan-2-ol
CID 113499938
2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
CID 107871143
1-[methyl-[2-methyl-2-(methylaminomethyl)pentyl]amino]propan-2-ol
CID 62337356
1-[[2-(ethylaminomethyl)-2-methylpentyl]-methylamino]propan-2-ol
CID 62337553
N,2-diethyl-2-methyl-N-(2-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
CID 79480297
2-ethyl-N,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 63274400
(2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 103935088
N-cyclopropyl-2-ethyl-2-methyl-N-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62258875
2-ethyl-N,2-dimethyl-N-(oxan-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 62257896
N,2-diethyl-N-(1-methoxypropan-2-yl)-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62255893
1-[ethyl(methyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
CID 66335154
2-ethyl-N-(1-ethylpiperidin-4-yl)-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260648

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol?
The IUPAC name of 1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol (CID 62337164) is 1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol?
The canonical SMILES for 1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol is CCC(C)(CNC(C)C)CN(C)CC(C)O.
What is the InChIKey of 1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol?
The InChIKey is HWSWMZNMIZMSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-7-13(5,9-14-11(2)3)10-15(6)8-12(4)16/h11-12,14,16H,7-10H2,1-6H3.
What are the key properties of 1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol?
1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol has a molecular weight of 230.40 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[2-methyl-2-[(propan-2-ylamino)methyl]butyl]amino]propan-2-ol is sourced from PubChem (CID 62337164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).