1-cyclopropyl-N-methyl-N-[[(2S)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl]methanamine

C17H30N4O — CID 129338754

IUPAC1-cyclopropyl-N-methyl-N-[[(2S)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl]methanamine
SMILESCc1nn(C)c(C)c1CN1CCO[C@@H](CN(C)CC2CC2)C1
InChIInChI=1S/C17H30N4O/c1-13-17(14(2)20(4)18-13)12-21-7-8-22-16(11-21)10-19(3)9-15-5-6-15/h15-16H,5-12H2,1-4H3/t16-/m0/s1
InChIKeyNNVZAHACRJSZEE-INIZCTEOSA-N
MW306.45 g/mol
LogP1.58
Rot. Bonds6

About 1-cyclopropyl-N-methyl-N-[[(2S)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl]methanamine

1-cyclopropyl-N-methyl-N-[[(2S)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl]methanamine (PubChem CID 129338754) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-[[(2S)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-[[(2S)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl]methanamine
PubChem CID129338754
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name1-cyclopropyl-N-methyl-N-[[(2S)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl]methanamine
SMILESCc1nn(C)c(C)c1CN1CCO[C@@H](CN(C)CC2CC2)C1
InChIInChI=1S/C17H30N4O/c1-13-17(14(2)20(4)18-13)12-21-7-8-22-16(11-21)10-19(3)9-15-5-6-15/h15-16H,5-12H2,1-4H3/t16-/m0/s1
InChIKeyNNVZAHACRJSZEE-INIZCTEOSA-N
XLogP1.58
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methyl]-N-methylmethanamine
CID 128996868
[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 114393446
1-cyclopropyl-N-methyl-N-[[(2R)-4-[(1-methylpyrrol-3-yl)methyl]morpholin-2-yl]methyl]methanamine
CID 129343784
1-cyclopropyl-N-methyl-N-[[(2S)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]methyl]methanamine
CID 129343555
[5-[[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]methyl]furan-2-yl]methanol
CID 129344343
4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine
CID 81209692
(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 111123110
1-(4-ethylmorpholin-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 78946770
[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 19623272
(3R)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-ol
CID 129488572
4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-ethyl-1,4-oxazepane
CID 114217691
[1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 19623264

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-[[(2S)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-[[(2S)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl]methanamine (CID 129338754) is 1-cyclopropyl-N-methyl-N-[[(2S)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-[[(2S)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-[[(2S)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl]methanamine is Cc1nn(C)c(C)c1CN1CCO[C@@H](CN(C)CC2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-[[(2S)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl]methanamine?
The InChIKey is NNVZAHACRJSZEE-INIZCTEOSA-N. The full InChI is InChI=1S/C17H30N4O/c1-13-17(14(2)20(4)18-13)12-21-7-8-22-16(11-21)10-19(3)9-15-5-6-15/h15-16H,5-12H2,1-4H3/t16-/m0/s1.
What are the key properties of 1-cyclopropyl-N-methyl-N-[[(2S)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl]methanamine?
1-cyclopropyl-N-methyl-N-[[(2S)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl]methanamine has a molecular weight of 306.45 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-[[(2S)-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]morpholin-2-yl]methyl]methanamine is sourced from PubChem (CID 129338754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).