3-[methyl-[3-(methylamino)but-1-en-2-yl]amino]propan-1-ol

C9H20N2O — CID 163750674

IUPAC3-[methyl-[3-(methylamino)but-1-en-2-yl]amino]propan-1-ol
SMILESC=C(C(C)NC)N(C)CCCO
InChIInChI=1S/C9H20N2O/c1-8(10-3)9(2)11(4)6-5-7-12/h8,10,12H,2,5-7H2,1,3-4H3
InChIKeyLPSYZHFWRDAYJX-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.42
Rot. Bonds6

About 3-[methyl-[3-(methylamino)but-1-en-2-yl]amino]propan-1-ol

3-[methyl-[3-(methylamino)but-1-en-2-yl]amino]propan-1-ol (PubChem CID 163750674) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-[methyl-[3-(methylamino)but-1-en-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[methyl-[3-(methylamino)but-1-en-2-yl]amino]propan-1-ol
PubChem CID163750674
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name3-[methyl-[3-(methylamino)but-1-en-2-yl]amino]propan-1-ol
SMILESC=C(C(C)NC)N(C)CCCO
InChIInChI=1S/C9H20N2O/c1-8(10-3)9(2)11(4)6-5-7-12/h8,10,12H,2,5-7H2,1,3-4H3
InChIKeyLPSYZHFWRDAYJX-UHFFFAOYSA-N
XLogP0.42
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[3-(methylamino)but-1-en-2-yl]amino]propan-1-ol?
The IUPAC name of 3-[methyl-[3-(methylamino)but-1-en-2-yl]amino]propan-1-ol (CID 163750674) is 3-[methyl-[3-(methylamino)but-1-en-2-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[methyl-[3-(methylamino)but-1-en-2-yl]amino]propan-1-ol?
The canonical SMILES for 3-[methyl-[3-(methylamino)but-1-en-2-yl]amino]propan-1-ol is C=C(C(C)NC)N(C)CCCO.
What is the InChIKey of 3-[methyl-[3-(methylamino)but-1-en-2-yl]amino]propan-1-ol?
The InChIKey is LPSYZHFWRDAYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(10-3)9(2)11(4)6-5-7-12/h8,10,12H,2,5-7H2,1,3-4H3.
What are the key properties of 3-[methyl-[3-(methylamino)but-1-en-2-yl]amino]propan-1-ol?
3-[methyl-[3-(methylamino)but-1-en-2-yl]amino]propan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[3-(methylamino)but-1-en-2-yl]amino]propan-1-ol is sourced from PubChem (CID 163750674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).