N-[[1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine

C17H26N2 — CID 62513515

IUPACN-[[1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCC(C)c1ccc(N2CCC(CNC3CC3)C2)cc1
InChIInChI=1S/C17H26N2/c1-13(2)15-3-7-17(8-4-15)19-10-9-14(12-19)11-18-16-5-6-16/h3-4,7-8,13-14,16,18H,5-6,9-12H2,1-2H3
InChIKeySGZBOBXSUZUUSW-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.39
Rot. Bonds5

About N-[[1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine

N-[[1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine (PubChem CID 62513515) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[[1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
PubChem CID62513515
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[[1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESCC(C)c1ccc(N2CCC(CNC3CC3)C2)cc1
InChIInChI=1S/C17H26N2/c1-13(2)15-3-7-17(8-4-15)19-10-9-14(12-19)11-18-16-5-6-16/h3-4,7-8,13-14,16,18H,5-6,9-12H2,1-2H3
InChIKeySGZBOBXSUZUUSW-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(4-iodophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 55081197
N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 62513614
N-[[1-(4-bromo-3-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513701
(3R)-1-(4-propan-2-ylphenyl)pyrrolidin-3-amine
CID 93285656
1-ethyl-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]piperidin-4-amine
CID 125447400
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 110414099
4-(4-methylpentyl)-1-(4-propan-2-ylphenyl)piperidine
CID 176934369
N-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513359
N-[[1-[4-bromo-3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 64854781
2-methyl-5-[3-[[(1-phenylpiperidin-4-yl)amino]methyl]pyrrolidin-1-yl]pyridazin-3-one
CID 45252002
[1-[4-[(1R)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
CID 103942786
[1-[4-[(1S)-1-aminoethyl]phenyl]pyrrolidin-3-yl]methanol
CID 103942779

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine (CID 62513515) is N-[[1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine is CC(C)c1ccc(N2CCC(CNC3CC3)C2)cc1.
What is the InChIKey of N-[[1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The InChIKey is SGZBOBXSUZUUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13(2)15-3-7-17(8-4-15)19-10-9-14(12-19)11-18-16-5-6-16/h3-4,7-8,13-14,16,18H,5-6,9-12H2,1-2H3.
What are the key properties of N-[[1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine?
N-[[1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine has a molecular weight of 258.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62513515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).