N',2,2-trimethyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine

C18H31N3 — CID 63211260

IUPACN',2,2-trimethyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
SMILESCN(CCN1CCCC1)CC(C)(C)C(N)c1ccccc1
InChIInChI=1S/C18H31N3/c1-18(2,17(19)16-9-5-4-6-10-16)15-20(3)13-14-21-11-7-8-12-21/h4-6,9-10,17H,7-8,11-15,19H2,1-3H3
InChIKeyZUSZFKSAWGAFIE-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.74
Rot. Bonds7

About N',2,2-trimethyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine

N',2,2-trimethyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine (PubChem CID 63211260) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N',2,2-trimethyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
PubChem CID63211260
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN',2,2-trimethyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
SMILESCN(CCN1CCCC1)CC(C)(C)C(N)c1ccccc1
InChIInChI=1S/C18H31N3/c1-18(2,17(19)16-9-5-4-6-10-16)15-20(3)13-14-21-11-7-8-12-21/h4-6,9-10,17H,7-8,11-15,19H2,1-3H3
InChIKeyZUSZFKSAWGAFIE-UHFFFAOYSA-N
XLogP2.74
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
CID 63321985
2-amino-3-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-phenylpropanamide
CID 63210905
(2S)-2-amino-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 104897872
2-N-methyl-1-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206567
1-N,3-N,2,2-tetramethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,3-diamine
CID 66453884
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
2-N-methyl-3-phenyl-2-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206599
1-N,3,3-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63206956
1-(3-amino-2,2-dimethyl-3-phenylpropyl)pyrrolidine-3,4-diol
CID 106674147
N,2-dimethyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)propan-2-amine
CID 58948589
N-benzyl-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63209215
1-(4-methoxyphenyl)-N'-methyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63206777

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine (CID 63211260) is N',2,2-trimethyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine is CN(CCN1CCCC1)CC(C)(C)C(N)c1ccccc1.
What is the InChIKey of N',2,2-trimethyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine?
The InChIKey is ZUSZFKSAWGAFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-18(2,17(19)16-9-5-4-6-10-16)15-20(3)13-14-21-11-7-8-12-21/h4-6,9-10,17H,7-8,11-15,19H2,1-3H3.
What are the key properties of N',2,2-trimethyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine?
N',2,2-trimethyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine has a molecular weight of 289.47 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-1-phenyl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 63211260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).