1-cyclopropyl-5-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine

C17H26N2 — CID 104866703

IUPAC1-cyclopropyl-5-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
SMILESCc1ccc([C@@H](C)NC2CC(C)N(C3CC3)C2)cc1
InChIInChI=1S/C17H26N2/c1-12-4-6-15(7-5-12)14(3)18-16-10-13(2)19(11-16)17-8-9-17/h4-7,13-14,16-18H,8-11H2,1-3H3/t13?,14-,16?/m1/s1
InChIKeyZARGGTMGHSVQKG-NPCAHTBFSA-N
MW258.41 g/mol
LogP3.27
Rot. Bonds4

About 1-cyclopropyl-5-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine

1-cyclopropyl-5-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine (PubChem CID 104866703) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-cyclopropyl-5-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-5-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
PubChem CID104866703
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-cyclopropyl-5-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
SMILESCc1ccc([C@@H](C)NC2CC(C)N(C3CC3)C2)cc1
InChIInChI=1S/C17H26N2/c1-12-4-6-15(7-5-12)14(3)18-16-10-13(2)19(11-16)17-8-9-17/h4-7,13-14,16-18H,8-11H2,1-3H3/t13?,14-,16?/m1/s1
InChIKeyZARGGTMGHSVQKG-NPCAHTBFSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-5-methyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidin-3-amine
CID 113491658
1-cyclopropyl-5-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 115705804
N-[1-(4-methylphenyl)ethyl]cyclopropanamine
CID 16771025
N-[1-(2-bromophenyl)ethyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115704080
1-cyclopropyl-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrrolidin-3-amine
CID 113365420
1-cyclopropyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-methylpyrrolidin-3-amine
CID 115709368
1-methyl-N-[1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 61461431
N-[1-(4-methylphenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561638
1-N-[(1R)-1-(4-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 81349548
1-cyclopropyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidin-3-amine
CID 115713788
1-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]piperidin-4-amine
CID 81349628
1-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-5-methylpyrrolidin-3-amine
CID 115719166

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-5-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine (CID 104866703) is 1-cyclopropyl-5-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-5-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-5-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine is Cc1ccc([C@@H](C)NC2CC(C)N(C3CC3)C2)cc1.
What is the InChIKey of 1-cyclopropyl-5-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine?
The InChIKey is ZARGGTMGHSVQKG-NPCAHTBFSA-N. The full InChI is InChI=1S/C17H26N2/c1-12-4-6-15(7-5-12)14(3)18-16-10-13(2)19(11-16)17-8-9-17/h4-7,13-14,16-18H,8-11H2,1-3H3/t13?,14-,16?/m1/s1.
What are the key properties of 1-cyclopropyl-5-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine?
1-cyclopropyl-5-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine has a molecular weight of 258.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 104866703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).