1-cyclopropyl-N-methyl-N-[[(2R)-4-[(1-methylpyrrol-3-yl)methyl]morpholin-2-yl]methyl]methanamine

C16H27N3O — CID 129343784

IUPAC1-cyclopropyl-N-methyl-N-[[(2R)-4-[(1-methylpyrrol-3-yl)methyl]morpholin-2-yl]methyl]methanamine
SMILESCN(CC1CC1)C[C@@H]1CN(Cc2ccn(C)c2)CCO1
InChIInChI=1S/C16H27N3O/c1-17-6-5-15(10-17)11-19-7-8-20-16(13-19)12-18(2)9-14-3-4-14/h5-6,10,14,16H,3-4,7-9,11-13H2,1-2H3/t16-/m1/s1
InChIKeyXLZFGEASQVVKRR-MRXNPFEDSA-N
MW277.41 g/mol
LogP1.57
Rot. Bonds6

About 1-cyclopropyl-N-methyl-N-[[(2R)-4-[(1-methylpyrrol-3-yl)methyl]morpholin-2-yl]methyl]methanamine

1-cyclopropyl-N-methyl-N-[[(2R)-4-[(1-methylpyrrol-3-yl)methyl]morpholin-2-yl]methyl]methanamine (PubChem CID 129343784) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-[[(2R)-4-[(1-methylpyrrol-3-yl)methyl]morpholin-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-[[(2R)-4-[(1-methylpyrrol-3-yl)methyl]morpholin-2-yl]methyl]methanamine
PubChem CID129343784
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-cyclopropyl-N-methyl-N-[[(2R)-4-[(1-methylpyrrol-3-yl)methyl]morpholin-2-yl]methyl]methanamine
SMILESCN(CC1CC1)C[C@@H]1CN(Cc2ccn(C)c2)CCO1
InChIInChI=1S/C16H27N3O/c1-17-6-5-15(10-17)11-19-7-8-20-16(13-19)12-18(2)9-14-3-4-14/h5-6,10,14,16H,3-4,7-9,11-13H2,1-2H3/t16-/m1/s1
InChIKeyXLZFGEASQVVKRR-MRXNPFEDSA-N
XLogP1.57
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-N-methyl-N-[[(2R)-4-[(1-methylpyrrol-3-yl)methyl]morpholin-2-yl]methyl]methanamine with MolForge

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Related Compounds

[5-[[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol
CID 129344343
1-cyclopropyl-N-methyl-N-[[(2S)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl]methanamine
CID 129338754
1-cyclopropyl-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methyl]-N-methylmethanamine
CID 128996868
1-cyclopropyl-N-methyl-N-[[(2S)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]methyl]methanamine
CID 129343555
[1-[(1-methylpyrrol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 115882586
2-[[4-[[4-(4-chlorophenyl)phenyl]methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043659
2-[[4-[(3-bromophenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043743
2-[methyl-[[4-[(4-phenylsulfanylphenyl)methyl]morpholin-2-yl]methyl]amino]acetic acid
CID 122043801
2-[[4-[(4-bromo-3-methylphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043553
N,N-dimethyl-1-[(2R)-4-[(2-methylphenyl)methyl]morpholin-2-yl]methanamine
CID 95333023
[(2R)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone
CID 129342482
[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]-(1-cyclopropylpyrrol-2-yl)methanone
CID 129342481

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-[[(2R)-4-[(1-methylpyrrol-3-yl)methyl]morpholin-2-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-[[(2R)-4-[(1-methylpyrrol-3-yl)methyl]morpholin-2-yl]methyl]methanamine (CID 129343784) is 1-cyclopropyl-N-methyl-N-[[(2R)-4-[(1-methylpyrrol-3-yl)methyl]morpholin-2-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-[[(2R)-4-[(1-methylpyrrol-3-yl)methyl]morpholin-2-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-[[(2R)-4-[(1-methylpyrrol-3-yl)methyl]morpholin-2-yl]methyl]methanamine is CN(CC1CC1)C[C@@H]1CN(Cc2ccn(C)c2)CCO1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-[[(2R)-4-[(1-methylpyrrol-3-yl)methyl]morpholin-2-yl]methyl]methanamine?
The InChIKey is XLZFGEASQVVKRR-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H27N3O/c1-17-6-5-15(10-17)11-19-7-8-20-16(13-19)12-18(2)9-14-3-4-14/h5-6,10,14,16H,3-4,7-9,11-13H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-cyclopropyl-N-methyl-N-[[(2R)-4-[(1-methylpyrrol-3-yl)methyl]morpholin-2-yl]methyl]methanamine?
1-cyclopropyl-N-methyl-N-[[(2R)-4-[(1-methylpyrrol-3-yl)methyl]morpholin-2-yl]methyl]methanamine has a molecular weight of 277.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-[[(2R)-4-[(1-methylpyrrol-3-yl)methyl]morpholin-2-yl]methyl]methanamine is sourced from PubChem (CID 129343784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).