(3R)-1-cyclopropyl-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrrolidin-3-amine

C21H33N3O — CID 97232519

IUPAC(3R)-1-cyclopropyl-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrrolidin-3-amine
SMILESC[C@@H](NC1(CN[C@@H]2CCN(C3CC3)C2)CCOCC1)c1ccccc1
InChIInChI=1S/C21H33N3O/c1-17(18-5-3-2-4-6-18)23-21(10-13-25-14-11-21)16-22-19-9-12-24(15-19)20-7-8-20/h2-6,17,19-20,22-23H,7-16H2,1H3/t17-,19-/m1/s1
InChIKeyFGJOCSMUWVIRBB-IEBWSBKVSA-N
MW343.51 g/mol
LogP2.71
Rot. Bonds7

About (3R)-1-cyclopropyl-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrrolidin-3-amine

(3R)-1-cyclopropyl-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrrolidin-3-amine (PubChem CID 97232519) has the molecular formula C21H33N3O and a molecular weight of 343.51 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrrolidin-3-amine
PubChem CID97232519
Molecular FormulaC21H33N3O
Molecular Weight343.51 g/mol
Exact Mass343.26
IUPAC Name(3R)-1-cyclopropyl-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrrolidin-3-amine
SMILESC[C@@H](NC1(CN[C@@H]2CCN(C3CC3)C2)CCOCC1)c1ccccc1
InChIInChI=1S/C21H33N3O/c1-17(18-5-3-2-4-6-18)23-21(10-13-25-14-11-21)16-22-19-9-12-24(15-19)20-7-8-20/h2-6,17,19-20,22-23H,7-16H2,1H3/t17-,19-/m1/s1
InChIKeyFGJOCSMUWVIRBB-IEBWSBKVSA-N
XLogP2.71
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-cyclopropyl-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrrolidin-3-amine with MolForge

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Related Compounds

1-cyclopropyl-N-[(1R)-1-phenylethyl]pyrrolidin-3-amine
CID 81350444
4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 95241594
(2R)-2-amino-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]propanamide;dihydrochloride
CID 119888303
2-methyl-1-(5-methylhexan-2-yl)-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]guanidine
CID 111828695
5-bromo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyridin-2-amine
CID 133345750
tert-butyl 3-[[4-(1-phenylethylamino)oxan-4-yl]methylcarbamoyl]azetidine-1-carboxylate
CID 75454851
ethyl 4-[[N'-[[4-(1-phenylethylamino)oxan-4-yl]methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111812822
N-[3-oxo-3-[[4-(1-phenylethylamino)oxan-4-yl]methylamino]propyl]cyclohexanecarboxamide
CID 86947103
4-[[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]methyl]-N-(1-phenylethyl)oxan-4-amine
CID 75494222
(3S)-1-cyclopropyl-N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-3-amine
CID 129366909
1-[(4-fluorophenyl)methyl]-2-methyl-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]guanidine
CID 111829133
2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133460771

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyl-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-cyclopropyl-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrrolidin-3-amine (CID 97232519) is (3R)-1-cyclopropyl-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-cyclopropyl-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-cyclopropyl-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrrolidin-3-amine is C[C@@H](NC1(CN[C@@H]2CCN(C3CC3)C2)CCOCC1)c1ccccc1.
What is the InChIKey of (3R)-1-cyclopropyl-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrrolidin-3-amine?
The InChIKey is FGJOCSMUWVIRBB-IEBWSBKVSA-N. The full InChI is InChI=1S/C21H33N3O/c1-17(18-5-3-2-4-6-18)23-21(10-13-25-14-11-21)16-22-19-9-12-24(15-19)20-7-8-20/h2-6,17,19-20,22-23H,7-16H2,1H3/t17-,19-/m1/s1.
What are the key properties of (3R)-1-cyclopropyl-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrrolidin-3-amine?
(3R)-1-cyclopropyl-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrrolidin-3-amine has a molecular weight of 343.51 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 97232519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).