1-cyclopropyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine

C18H32N4O — CID 129342931

IUPAC1-cyclopropyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine
SMILESCC(C)Cn1cc(CN(CC2CC2)C[C@H]2CN(C)CCO2)cn1
InChIInChI=1S/C18H32N4O/c1-15(2)9-22-12-17(8-19-22)11-21(10-16-4-5-16)14-18-13-20(3)6-7-23-18/h8,12,15-16,18H,4-7,9-11,13-14H2,1-3H3/t18-/m1/s1
InChIKeyVOCSCBCPNNMKBW-GOSISDBHSA-N
MW320.48 g/mol
LogP2.08
Rot. Bonds8

About 1-cyclopropyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine

1-cyclopropyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine (PubChem CID 129342931) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine
PubChem CID129342931
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name1-cyclopropyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine
SMILESCC(C)Cn1cc(CN(CC2CC2)C[C@H]2CN(C)CCO2)cn1
InChIInChI=1S/C18H32N4O/c1-15(2)9-22-12-17(8-19-22)11-21(10-16-4-5-16)14-18-13-20(3)6-7-23-18/h8,12,15-16,18H,4-7,9-11,13-14H2,1-3H3/t18-/m1/s1
InChIKeyVOCSCBCPNNMKBW-GOSISDBHSA-N
XLogP2.08
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine (CID 129342931) is 1-cyclopropyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine is CC(C)Cn1cc(CN(CC2CC2)C[C@H]2CN(C)CCO2)cn1.
What is the InChIKey of 1-cyclopropyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine?
The InChIKey is VOCSCBCPNNMKBW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H32N4O/c1-15(2)9-22-12-17(8-19-22)11-21(10-16-4-5-16)14-18-13-20(3)6-7-23-18/h8,12,15-16,18H,4-7,9-11,13-14H2,1-3H3/t18-/m1/s1.
What are the key properties of 1-cyclopropyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine?
1-cyclopropyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine has a molecular weight of 320.48 g/mol, XLogP of 2.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 129342931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).