(2S)-N-(dicyclopropylmethyl)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine

C15H28N2O — CID 97322384

IUPAC(2S)-N-(dicyclopropylmethyl)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine
SMILESC[C@@H]1COCCN1[C@@H](C)CNC(C1CC1)C1CC1
InChIInChI=1S/C15H28N2O/c1-11(17-7-8-18-10-12(17)2)9-16-15(13-3-4-13)14-5-6-14/h11-16H,3-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyQABMJDGBHGTZNB-NWDGAFQWSA-N
MW252.40 g/mol
LogP1.87
Rot. Bonds6

About (2S)-N-(dicyclopropylmethyl)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine

(2S)-N-(dicyclopropylmethyl)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine (PubChem CID 97322384) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (2S)-N-(dicyclopropylmethyl)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine.

Molecular Properties

Compound Name(2S)-N-(dicyclopropylmethyl)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine
PubChem CID97322384
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(2S)-N-(dicyclopropylmethyl)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine
SMILESC[C@@H]1COCCN1[C@@H](C)CNC(C1CC1)C1CC1
InChIInChI=1S/C15H28N2O/c1-11(17-7-8-18-10-12(17)2)9-16-15(13-3-4-13)14-5-6-14/h11-16H,3-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyQABMJDGBHGTZNB-NWDGAFQWSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine
CID 124710087
3-methyl-4-pentan-2-ylmorpholine
CID 130660502
6-N-methyl-2-N,4-N-bis[2-(3-methylmorpholin-4-yl)propyl]-1,3,5-triazine-2,4,6-triamine
CID 167924985
cis-(1S,2R)-2-methyl-N-[(2R)-2-[(3R)-3-methylmorpholin-4-yl]propyl]cyclopropane-1-carboxamide
CID 124803825
(2R)-2-[(3S)-3-methylmorpholin-4-yl]-N-[(1S)-1-(1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine
CID 99849127
3,3,3-trifluoro-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide
CID 98799112
(2S)-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(3S)-3-methylmorpholin-4-yl]propan-1-amine
CID 97322387
2-(cyclopropylamino)-2-methyl-4-(3-methylmorpholin-4-yl)pentan-1-ol
CID 64797261
N-ethyl-4-(3-methylmorpholin-4-yl)pentan-1-amine
CID 62422885
(2R)-2-[(3S)-3-methylmorpholin-4-yl]-N-[(1S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-1-amine
CID 99851106
(2S)-2-[(3R)-3-methylmorpholin-4-yl]-N-[(1S)-1-(4-nitrophenyl)ethyl]propan-1-amine
CID 97322388
2-methyl-1-(4-methylcyclohexyl)-3-[2-(3-methylmorpholin-4-yl)propyl]guanidine;hydroiodide
CID 111837100

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(dicyclopropylmethyl)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine?
The IUPAC name of (2S)-N-(dicyclopropylmethyl)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine (CID 97322384) is (2S)-N-(dicyclopropylmethyl)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine.
What is the SMILES notation for (2S)-N-(dicyclopropylmethyl)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine?
The canonical SMILES for (2S)-N-(dicyclopropylmethyl)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine is C[C@@H]1COCCN1[C@@H](C)CNC(C1CC1)C1CC1.
What is the InChIKey of (2S)-N-(dicyclopropylmethyl)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine?
The InChIKey is QABMJDGBHGTZNB-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H28N2O/c1-11(17-7-8-18-10-12(17)2)9-16-15(13-3-4-13)14-5-6-14/h11-16H,3-10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (2S)-N-(dicyclopropylmethyl)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine?
(2S)-N-(dicyclopropylmethyl)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine has a molecular weight of 252.40 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(dicyclopropylmethyl)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine is sourced from PubChem (CID 97322384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).