N'-[3-(1-tert-butylpyrrolidin-2-yl)-4-cyclopropylphenyl]-N,N,N'-trimethylethane-1,2-diamine

C22H37N3 — CID 161311798

IUPACN'-[3-(1-tert-butylpyrrolidin-2-yl)-4-cyclopropylphenyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)c1ccc(C2CC2)c(C2CCCN2C(C)(C)C)c1
InChIInChI=1S/C22H37N3/c1-22(2,3)25-13-7-8-21(25)20-16-18(24(6)15-14-23(4)5)11-12-19(20)17-9-10-17/h11-12,16-17,21H,7-10,13-15H2,1-6H3
InChIKeyAJKKVTFLEXGXCE-UHFFFAOYSA-N
MW343.56 g/mol
LogP4.50
Rot. Bonds6

About N'-[3-(1-tert-butylpyrrolidin-2-yl)-4-cyclopropylphenyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[3-(1-tert-butylpyrrolidin-2-yl)-4-cyclopropylphenyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 161311798) has the molecular formula C22H37N3 and a molecular weight of 343.56 g/mol. Its IUPAC name is N'-[3-(1-tert-butylpyrrolidin-2-yl)-4-cyclopropylphenyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(1-tert-butylpyrrolidin-2-yl)-4-cyclopropylphenyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID161311798
Molecular FormulaC22H37N3
Molecular Weight343.56 g/mol
Exact Mass343.30
IUPAC NameN'-[3-(1-tert-butylpyrrolidin-2-yl)-4-cyclopropylphenyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)c1ccc(C2CC2)c(C2CCCN2C(C)(C)C)c1
InChIInChI=1S/C22H37N3/c1-22(2,3)25-13-7-8-21(25)20-16-18(24(6)15-14-23(4)5)11-12-19(20)17-9-10-17/h11-12,16-17,21H,7-10,13-15H2,1-6H3
InChIKeyAJKKVTFLEXGXCE-UHFFFAOYSA-N
XLogP4.50
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.56
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(1-tert-butylpyrrolidin-2-yl)-4-cyclopropylphenyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[3-(1-tert-butylpyrrolidin-2-yl)-4-cyclopropylphenyl]-N,N,N'-trimethylethane-1,2-diamine (CID 161311798) is N'-[3-(1-tert-butylpyrrolidin-2-yl)-4-cyclopropylphenyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[3-(1-tert-butylpyrrolidin-2-yl)-4-cyclopropylphenyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[3-(1-tert-butylpyrrolidin-2-yl)-4-cyclopropylphenyl]-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)c1ccc(C2CC2)c(C2CCCN2C(C)(C)C)c1.
What is the InChIKey of N'-[3-(1-tert-butylpyrrolidin-2-yl)-4-cyclopropylphenyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is AJKKVTFLEXGXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3/c1-22(2,3)25-13-7-8-21(25)20-16-18(24(6)15-14-23(4)5)11-12-19(20)17-9-10-17/h11-12,16-17,21H,7-10,13-15H2,1-6H3.
What are the key properties of N'-[3-(1-tert-butylpyrrolidin-2-yl)-4-cyclopropylphenyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[3-(1-tert-butylpyrrolidin-2-yl)-4-cyclopropylphenyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 343.56 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1-tert-butylpyrrolidin-2-yl)-4-cyclopropylphenyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 161311798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).