1-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]propan-2-ol

C11H24N2O — CID 103070338

IUPAC1-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]propan-2-ol
SMILESC=C(CNCCC)CN(C)CC(C)O
InChIInChI=1S/C11H24N2O/c1-5-6-12-7-10(2)8-13(4)9-11(3)14/h11-12,14H,2,5-9H2,1,3-4H3
InChIKeyJFTLTNJDBDGJLN-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.85
Rot. Bonds8

About 1-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]propan-2-ol

1-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]propan-2-ol (PubChem CID 103070338) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]propan-2-ol
PubChem CID103070338
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]propan-2-ol
SMILESC=C(CNCCC)CN(C)CC(C)O
InChIInChI=1S/C11H24N2O/c1-5-6-12-7-10(2)8-13(4)9-11(3)14/h11-12,14H,2,5-9H2,1,3-4H3
InChIKeyJFTLTNJDBDGJLN-UHFFFAOYSA-N
XLogP0.85
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069520
N-methyl-2-methylidene-N-(2-propan-2-yloxyethyl)-N'-propylpropane-1,3-diamine
CID 103071074
3-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]butanenitrile
CID 103070580
3-[ethyl-[2-(propylaminomethyl)prop-2-enyl]amino]-2-methylpropanenitrile
CID 103069947
N-[(4-bromophenyl)methyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103069623
2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069561
N-(furan-3-ylmethyl)-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103069682
N-tert-butyl-N'-methyl-N'-(2-methylbutyl)-2-methylidenepropane-1,3-diamine
CID 103069309
N-methyl-2-methylidene-N-(oxan-4-yl)-N'-propylpropane-1,3-diamine
CID 103069465
N,N-dicyclohexyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103069022
N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103070461
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-2-methylidene-N'-propylpropane-1,3-diamine
CID 103070832

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]propan-2-ol?
The IUPAC name of 1-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]propan-2-ol (CID 103070338) is 1-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]propan-2-ol?
The canonical SMILES for 1-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]propan-2-ol is C=C(CNCCC)CN(C)CC(C)O.
What is the InChIKey of 1-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]propan-2-ol?
The InChIKey is JFTLTNJDBDGJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-5-6-12-7-10(2)8-13(4)9-11(3)14/h11-12,14H,2,5-9H2,1,3-4H3.
What are the key properties of 1-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]propan-2-ol?
1-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]propan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[2-(propylaminomethyl)prop-2-enyl]amino]propan-2-ol is sourced from PubChem (CID 103070338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).