(3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-cyclopropylpyrrolidin-3-amine

C19H29N3O — CID 95972215

IUPAC(3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-cyclopropylpyrrolidin-3-amine
SMILESc1ccc(CN2CCO[C@@H](CN[C@@H]3CCN(C4CC4)C3)C2)cc1
InChIInChI=1S/C19H29N3O/c1-2-4-16(5-3-1)13-21-10-11-23-19(15-21)12-20-17-8-9-22(14-17)18-6-7-18/h1-5,17-20H,6-15H2/t17-,19+/m1/s1
InChIKeyDGRPSFXYMARBPA-MJGOQNOKSA-N
MW315.46 g/mol
LogP1.71
Rot. Bonds6

About (3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-cyclopropylpyrrolidin-3-amine

(3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-cyclopropylpyrrolidin-3-amine (PubChem CID 95972215) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-cyclopropylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-cyclopropylpyrrolidin-3-amine
PubChem CID95972215
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-cyclopropylpyrrolidin-3-amine
SMILESc1ccc(CN2CCO[C@@H](CN[C@@H]3CCN(C4CC4)C3)C2)cc1
InChIInChI=1S/C19H29N3O/c1-2-4-16(5-3-1)13-21-10-11-23-19(15-21)12-20-17-8-9-22(14-17)18-6-7-18/h1-5,17-20H,6-15H2/t17-,19+/m1/s1
InChIKeyDGRPSFXYMARBPA-MJGOQNOKSA-N
XLogP1.71
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzylmorpholin-2-yl)-N-iodomethanamine
CID 163437962
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
1-benzyl-N-(3,4-dihydro-2H-pyran-2-ylmethyl)pyrrolidin-3-amine
CID 62065627
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
1-(4-benzylmorpholin-2-yl)-N-[(4-phenylphenyl)methyl]methanamine
CID 174500358
2-(azidomethyl)-4-benzylmorpholine
CID 19848617
1-benzyl-N-[2-(oxan-2-yl)ethyl]pyrrolidin-3-amine
CID 103992937
1-benzyl-N-(1,3-dioxolan-2-ylmethyl)piperidin-4-amine
CID 69192482
1-benzyl-N-(cyclobutylmethyl)pyrrolidin-3-amine
CID 43298230
2-(4-benzylmorpholin-2-yl)ethanamine;dihydrochloride
CID 102594221
[4-(1-benzylpiperidin-4-yl)morpholin-2-yl]methanol;ethane
CID 91011302
(3S)-N-benzyl-1-cyclopropylpiperidin-3-amine
CID 95912398

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-cyclopropylpyrrolidin-3-amine?
The IUPAC name of (3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-cyclopropylpyrrolidin-3-amine (CID 95972215) is (3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-cyclopropylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-cyclopropylpyrrolidin-3-amine?
The canonical SMILES for (3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-cyclopropylpyrrolidin-3-amine is c1ccc(CN2CCO[C@@H](CN[C@@H]3CCN(C4CC4)C3)C2)cc1.
What is the InChIKey of (3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-cyclopropylpyrrolidin-3-amine?
The InChIKey is DGRPSFXYMARBPA-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H29N3O/c1-2-4-16(5-3-1)13-21-10-11-23-19(15-21)12-20-17-8-9-22(14-17)18-6-7-18/h1-5,17-20H,6-15H2/t17-,19+/m1/s1.
What are the key properties of (3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-cyclopropylpyrrolidin-3-amine?
(3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-cyclopropylpyrrolidin-3-amine has a molecular weight of 315.46 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-1-cyclopropylpyrrolidin-3-amine is sourced from PubChem (CID 95972215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).