N-[2-(4-butan-2-ylphenyl)ethyl]pyrrolidin-3-amine

C16H26N2 — CID 115118986

IUPACN-[2-(4-butan-2-ylphenyl)ethyl]pyrrolidin-3-amine
SMILESCCC(C)c1ccc(CCNC2CCNC2)cc1
InChIInChI=1S/C16H26N2/c1-3-13(2)15-6-4-14(5-7-15)8-11-18-16-9-10-17-12-16/h4-7,13,16-18H,3,8-12H2,1-2H3
InChIKeyMRRHOMJLYIGIMM-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.69
Rot. Bonds6

About N-[2-(4-butan-2-ylphenyl)ethyl]pyrrolidin-3-amine

N-[2-(4-butan-2-ylphenyl)ethyl]pyrrolidin-3-amine (PubChem CID 115118986) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[2-(4-butan-2-ylphenyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[2-(4-butan-2-ylphenyl)ethyl]pyrrolidin-3-amine
PubChem CID115118986
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[2-(4-butan-2-ylphenyl)ethyl]pyrrolidin-3-amine
SMILESCCC(C)c1ccc(CCNC2CCNC2)cc1
InChIInChI=1S/C16H26N2/c1-3-13(2)15-6-4-14(5-7-15)8-11-18-16-9-10-17-12-16/h4-7,13,16-18H,3,8-12H2,1-2H3
InChIKeyMRRHOMJLYIGIMM-UHFFFAOYSA-N
XLogP2.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine
CID 82262237
4-butan-2-yl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55068886
4-[2-(4-butan-2-ylphenyl)ethyl]piperidine
CID 116925672
N-[2-(4-methylphenyl)ethyl]piperidin-4-amine
CID 22643507
3-(4-butan-2-ylphenyl)pyrrolidine
CID 82112617
N-[4-(4-butan-2-ylphenyl)-2,2-dimethylbutyl]cyclopropanamine
CID 65308491
N-[2-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-amine
CID 115119037
N-(4-butan-2-ylphenyl)azepan-4-amine
CID 103981065
4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide
CID 43603241
3-methyl-6-[2-(pyrrolidin-3-ylamino)ethyl]-1,3-benzoxazol-2-one
CID 115119054
N-[2-(2,3,4-trimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115119069
N-[2-(4-butan-2-ylphenyl)ethyl]-2-methylpropan-1-amine
CID 82262124

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butan-2-ylphenyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-[2-(4-butan-2-ylphenyl)ethyl]pyrrolidin-3-amine (CID 115118986) is N-[2-(4-butan-2-ylphenyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[2-(4-butan-2-ylphenyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-[2-(4-butan-2-ylphenyl)ethyl]pyrrolidin-3-amine is CCC(C)c1ccc(CCNC2CCNC2)cc1.
What is the InChIKey of N-[2-(4-butan-2-ylphenyl)ethyl]pyrrolidin-3-amine?
The InChIKey is MRRHOMJLYIGIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-13(2)15-6-4-14(5-7-15)8-11-18-16-9-10-17-12-16/h4-7,13,16-18H,3,8-12H2,1-2H3.
What are the key properties of N-[2-(4-butan-2-ylphenyl)ethyl]pyrrolidin-3-amine?
N-[2-(4-butan-2-ylphenyl)ethyl]pyrrolidin-3-amine has a molecular weight of 246.40 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butan-2-ylphenyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 115118986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).