1-cyclopropyl-5-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrolidin-3-amine

C16H26N2S — CID 115722163

IUPAC1-cyclopropyl-5-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrolidin-3-amine
SMILESCc1ccc(CC(C)NC2CC(C)N(C3CC3)C2)s1
InChIInChI=1S/C16H26N2S/c1-11(8-16-7-4-13(3)19-16)17-14-9-12(2)18(10-14)15-5-6-15/h4,7,11-12,14-15,17H,5-6,8-10H2,1-3H3
InChIKeyNUJWXJYKIRJXFQ-UHFFFAOYSA-N
MW278.46 g/mol
LogP3.20
Rot. Bonds5

About 1-cyclopropyl-5-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrolidin-3-amine

1-cyclopropyl-5-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrolidin-3-amine (PubChem CID 115722163) has the molecular formula C16H26N2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 1-cyclopropyl-5-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-5-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrolidin-3-amine
PubChem CID115722163
Molecular FormulaC16H26N2S
Molecular Weight278.46 g/mol
Exact Mass278.18
IUPAC Name1-cyclopropyl-5-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrolidin-3-amine
SMILESCc1ccc(CC(C)NC2CC(C)N(C3CC3)C2)s1
InChIInChI=1S/C16H26N2S/c1-11(8-16-7-4-13(3)19-16)17-14-9-12(2)18(10-14)15-5-6-15/h4,7,11-12,14-15,17H,5-6,8-10H2,1-3H3
InChIKeyNUJWXJYKIRJXFQ-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-5-methyl-N-[1-(2-methylphenyl)propan-2-yl]pyrrolidin-3-amine
CID 115713788
N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopropanamine
CID 103439266
3,4-dimethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexan-1-amine
CID 64745439
4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine
CID 79741971
(2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propan-1-ol
CID 103789093
1-(2-methylpropyl)-N-[1-(5-methylthiophen-2-yl)propan-2-yl]piperidin-4-amine
CID 103784638
1-cyclopropyl-5-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 104866703
1-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]azepan-4-amine
CID 65078689
1-cyclopropyl-5-methyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidin-3-amine
CID 113491658
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-1-propylazepan-4-amine
CID 65078736
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115685133
N-[1-(5-methylthiophen-2-yl)propan-2-yl]-4-propylcycloheptan-1-amine
CID 65091722

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-5-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrolidin-3-amine (CID 115722163) is 1-cyclopropyl-5-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-5-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-5-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrolidin-3-amine is Cc1ccc(CC(C)NC2CC(C)N(C3CC3)C2)s1.
What is the InChIKey of 1-cyclopropyl-5-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrolidin-3-amine?
The InChIKey is NUJWXJYKIRJXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2S/c1-11(8-16-7-4-13(3)19-16)17-14-9-12(2)18(10-14)15-5-6-15/h4,7,11-12,14-15,17H,5-6,8-10H2,1-3H3.
What are the key properties of 1-cyclopropyl-5-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrolidin-3-amine?
1-cyclopropyl-5-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrolidin-3-amine has a molecular weight of 278.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrrolidin-3-amine is sourced from PubChem (CID 115722163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).