1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(oxan-4-ylmethyl)methanamine

C16H30N2O2 — CID 129344493

IUPAC1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(oxan-4-ylmethyl)methanamine
SMILESCN1CCO[C@H](CN(CC2CCOCC2)CC2CC2)C1
InChIInChI=1S/C16H30N2O2/c1-17-6-9-20-16(12-17)13-18(10-14-2-3-14)11-15-4-7-19-8-5-15/h14-16H,2-13H2,1H3/t16-/m0/s1
InChIKeyZPBAQZNYSNHHKQ-INIZCTEOSA-N
MW282.43 g/mol
LogP1.46
Rot. Bonds6

About 1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(oxan-4-ylmethyl)methanamine

1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(oxan-4-ylmethyl)methanamine (PubChem CID 129344493) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(oxan-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(oxan-4-ylmethyl)methanamine
PubChem CID129344493
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(oxan-4-ylmethyl)methanamine
SMILESCN1CCO[C@H](CN(CC2CCOCC2)CC2CC2)C1
InChIInChI=1S/C16H30N2O2/c1-17-6-9-20-16(12-17)13-18(10-14-2-3-14)11-15-4-7-19-8-5-15/h14-16H,2-13H2,1H3/t16-/m0/s1
InChIKeyZPBAQZNYSNHHKQ-INIZCTEOSA-N
XLogP1.46
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(2-aminoethyl)-N'-[(4-methylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79171859
N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-3-[(3S)-oxolan-3-yl]propanamide
CID 129330348
1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(thiadiazol-4-ylmethyl)methanamine
CID 129344242
4-[[methyl-[(4-methylmorpholin-2-yl)methyl]amino]methyl]oxan-4-ol
CID 113269056
ethane;2-ethyl-4-methylmorpholine;methane
CID 178051294
1-cyclopropyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine
CID 129342931
2-[(2-amino-2-oxoethyl)-[(4-methylmorpholin-2-yl)methyl]amino]acetic acid
CID 107440392
4-methyl-2-[(1-methylpiperidin-3-yl)methyl]morpholine
CID 123811908
N',2-dimethyl-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79171481
2-acetamido-N-(cyclopropylmethyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]acetamide
CID 129342815
3-cyclobutyl-N-(cyclopropylmethyl)-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 129331809
5-chloro-N-methyl-N-[(4-methylmorpholin-2-yl)methyl]pentan-1-amine
CID 107205092

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(oxan-4-ylmethyl)methanamine?
The IUPAC name of 1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(oxan-4-ylmethyl)methanamine (CID 129344493) is 1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(oxan-4-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(oxan-4-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(oxan-4-ylmethyl)methanamine is CN1CCO[C@H](CN(CC2CCOCC2)CC2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(oxan-4-ylmethyl)methanamine?
The InChIKey is ZPBAQZNYSNHHKQ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-17-6-9-20-16(12-17)13-18(10-14-2-3-14)11-15-4-7-19-8-5-15/h14-16H,2-13H2,1H3/t16-/m0/s1.
What are the key properties of 1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(oxan-4-ylmethyl)methanamine?
1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(oxan-4-ylmethyl)methanamine has a molecular weight of 282.43 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-N-(oxan-4-ylmethyl)methanamine is sourced from PubChem (CID 129344493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).