2-methyl-1-[[(Z)-3-(methylamino)but-1-enyl]amino]propan-2-ol

C9H20N2O — CID 143885952

IUPAC2-methyl-1-[[(Z)-3-(methylamino)but-1-enyl]amino]propan-2-ol
SMILESCNC(C)/C=C\NCC(C)(C)O
InChIInChI=1S/C9H20N2O/c1-8(10-4)5-6-11-7-9(2,3)12/h5-6,8,10-12H,7H2,1-4H3/b6-5-
InChIKeyYZUSWTOKZXWSKZ-WAYWQWQTSA-N
MW172.27 g/mol
LogP0.47
Rot. Bonds5

About 2-methyl-1-[[(Z)-3-(methylamino)but-1-enyl]amino]propan-2-ol

2-methyl-1-[[(Z)-3-(methylamino)but-1-enyl]amino]propan-2-ol (PubChem CID 143885952) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methyl-1-[[(Z)-3-(methylamino)but-1-enyl]amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[[(Z)-3-(methylamino)but-1-enyl]amino]propan-2-ol
PubChem CID143885952
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-methyl-1-[[(Z)-3-(methylamino)but-1-enyl]amino]propan-2-ol
SMILESCNC(C)/C=C\NCC(C)(C)O
InChIInChI=1S/C9H20N2O/c1-8(10-4)5-6-11-7-9(2,3)12/h5-6,8,10-12H,7H2,1-4H3/b6-5-
InChIKeyYZUSWTOKZXWSKZ-WAYWQWQTSA-N
XLogP0.47
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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5-(methylamino)hex-3-en-1-ol
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CID 167073805
ethane;N-(3-hydroxy-3-methylbutyl)formamide;N-methylpropan-2-amine
CID 176960936
2-methyl-2-(methylamino)-4-oxobutanamide
CID 175751505
2-methyl-1-(2,2,3-trimethylbutylamino)propan-2-ol
CID 102670964
3-[(2-hydroxy-2-methylpropyl)amino]-2,3-dimethylbutan-2-ol
CID 103993368
(Z)-but-2-ene;ethane;(E)-N-methylpent-3-en-2-amine
CID 142924416
(3Z,6Z)-N-methylnona-3,6-dien-2-amine
CID 139549250
(2R)-2-hydroxy-N-(2-hydroxy-2-methylpropyl)propanamide
CID 131159624
2-methyl-1-(pentan-2-ylamino)propan-2-ol
CID 60885275
ethane;N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 145182364

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[(Z)-3-(methylamino)but-1-enyl]amino]propan-2-ol?
The IUPAC name of 2-methyl-1-[[(Z)-3-(methylamino)but-1-enyl]amino]propan-2-ol (CID 143885952) is 2-methyl-1-[[(Z)-3-(methylamino)but-1-enyl]amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[[(Z)-3-(methylamino)but-1-enyl]amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[[(Z)-3-(methylamino)but-1-enyl]amino]propan-2-ol is CNC(C)/C=C\NCC(C)(C)O.
What is the InChIKey of 2-methyl-1-[[(Z)-3-(methylamino)but-1-enyl]amino]propan-2-ol?
The InChIKey is YZUSWTOKZXWSKZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(10-4)5-6-11-7-9(2,3)12/h5-6,8,10-12H,7H2,1-4H3/b6-5-.
What are the key properties of 2-methyl-1-[[(Z)-3-(methylamino)but-1-enyl]amino]propan-2-ol?
2-methyl-1-[[(Z)-3-(methylamino)but-1-enyl]amino]propan-2-ol has a molecular weight of 172.27 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[(Z)-3-(methylamino)but-1-enyl]amino]propan-2-ol is sourced from PubChem (CID 143885952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).