3-methyl-N-[(4-propylmorpholin-2-yl)methyl]but-1-en-2-amine

C13H26N2O — CID 155751028

IUPAC3-methyl-N-[(4-propylmorpholin-2-yl)methyl]but-1-en-2-amine
SMILESC=C(NCC1CN(CCC)CCO1)C(C)C
InChIInChI=1S/C13H26N2O/c1-5-6-15-7-8-16-13(10-15)9-14-12(4)11(2)3/h11,13-14H,4-10H2,1-3H3
InChIKeyZXONBIXOQWDTKW-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.86
Rot. Bonds6

About 3-methyl-N-[(4-propylmorpholin-2-yl)methyl]but-1-en-2-amine

3-methyl-N-[(4-propylmorpholin-2-yl)methyl]but-1-en-2-amine (PubChem CID 155751028) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-methyl-N-[(4-propylmorpholin-2-yl)methyl]but-1-en-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(4-propylmorpholin-2-yl)methyl]but-1-en-2-amine
PubChem CID155751028
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-methyl-N-[(4-propylmorpholin-2-yl)methyl]but-1-en-2-amine
SMILESC=C(NCC1CN(CCC)CCO1)C(C)C
InChIInChI=1S/C13H26N2O/c1-5-6-15-7-8-16-13(10-15)9-14-12(4)11(2)3/h11,13-14H,4-10H2,1-3H3
InChIKeyZXONBIXOQWDTKW-UHFFFAOYSA-N
XLogP1.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-5-morpholin-4-ylpent-1-en-2-amine
CID 58989736
(Z)-N-but-1-en-2-yl-3-methyl-2-morpholin-4-ylbut-1-en-1-amine
CID 126584067
N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine
CID 142615767
3-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-1-en-2-amine
CID 142616354
4-[(2-Methylidenepyrrolidin-3-yl)methyl]morpholine
CID 143282885
3-morpholin-4-yl-N-prop-1-en-2-ylpropan-1-amine
CID 144154665
N'-(3,3-dimethylbut-1-en-2-yl)ethane-1,2-diamine;2-methylpropane;4-prop-1-en-2-ylmorpholine
CID 144855148
ethane;N-[(4-ethylmorpholin-2-yl)methyl]-N,3-dimethylbut-1-en-2-amine
CID 153390428
N-[[4-[2-[2-(methylamino)ethoxy]ethyl]morpholin-2-yl]methyl]prop-1-en-2-amine
CID 153390440
N-[[(2R)-4-butylmorpholin-2-yl]methyl]-3-methylbut-1-en-2-amine
CID 153390617
N-[2-[(2R)-4-(2-methylpropyl)morpholin-2-yl]ethyl]prop-1-en-2-amine
CID 155448674
N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-N,3-dimethylbut-1-en-2-amine
CID 155455436

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-propylmorpholin-2-yl)methyl]but-1-en-2-amine?
The IUPAC name of 3-methyl-N-[(4-propylmorpholin-2-yl)methyl]but-1-en-2-amine (CID 155751028) is 3-methyl-N-[(4-propylmorpholin-2-yl)methyl]but-1-en-2-amine.
What is the SMILES notation for 3-methyl-N-[(4-propylmorpholin-2-yl)methyl]but-1-en-2-amine?
The canonical SMILES for 3-methyl-N-[(4-propylmorpholin-2-yl)methyl]but-1-en-2-amine is C=C(NCC1CN(CCC)CCO1)C(C)C.
What is the InChIKey of 3-methyl-N-[(4-propylmorpholin-2-yl)methyl]but-1-en-2-amine?
The InChIKey is ZXONBIXOQWDTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-6-15-7-8-16-13(10-15)9-14-12(4)11(2)3/h11,13-14H,4-10H2,1-3H3.
What are the key properties of 3-methyl-N-[(4-propylmorpholin-2-yl)methyl]but-1-en-2-amine?
3-methyl-N-[(4-propylmorpholin-2-yl)methyl]but-1-en-2-amine has a molecular weight of 226.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-propylmorpholin-2-yl)methyl]but-1-en-2-amine is sourced from PubChem (CID 155751028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).