N',N'-dimethyl-1-phenyl-N-pyrrolidin-3-ylethane-1,2-diamine

C14H23N3 — CID 79724005

IUPACN',N'-dimethyl-1-phenyl-N-pyrrolidin-3-ylethane-1,2-diamine
SMILESCN(C)CC(NC1CCNC1)c1ccccc1
InChIInChI=1S/C14H23N3/c1-17(2)11-14(12-6-4-3-5-7-12)16-13-8-9-15-10-13/h3-7,13-16H,8-11H2,1-2H3
InChIKeyBFJCLIBILBGDSY-UHFFFAOYSA-N
MW233.36 g/mol
LogP1.24
Rot. Bonds5

About N',N'-dimethyl-1-phenyl-N-pyrrolidin-3-ylethane-1,2-diamine

N',N'-dimethyl-1-phenyl-N-pyrrolidin-3-ylethane-1,2-diamine (PubChem CID 79724005) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N',N'-dimethyl-1-phenyl-N-pyrrolidin-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-1-phenyl-N-pyrrolidin-3-ylethane-1,2-diamine
PubChem CID79724005
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN',N'-dimethyl-1-phenyl-N-pyrrolidin-3-ylethane-1,2-diamine
SMILESCN(C)CC(NC1CCNC1)c1ccccc1
InChIInChI=1S/C14H23N3/c1-17(2)11-14(12-6-4-3-5-7-12)16-13-8-9-15-10-13/h3-7,13-16H,8-11H2,1-2H3
InChIKeyBFJCLIBILBGDSY-UHFFFAOYSA-N
XLogP1.24
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,1-N-dimethyl-3-phenyl-2-N-pyrrolidin-3-ylpropane-1,2-diamine
CID 173184821
N-(3,3-dimethyl-1-phenylbutyl)piperidin-4-amine
CID 54906460
N',N'-dimethyl-N-(3-methylcyclohexyl)-1-phenylethane-1,2-diamine
CID 43079693
N',N'-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)ethane-1,2-diamine
CID 80553252
N-(2,2-dimethyl-1,3-dioxan-5-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 106658098
N-(2,4-dimethylcyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 64774961
N-(1-benzylpiperidin-3-yl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 113222340
N-(3,3-dimethyl-1-phenylbutyl)azepan-4-amine
CID 103981437
N-(2-methoxycyclohexyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 43768402
N-[1-(4-methoxyphenyl)propyl]pyrrolidin-3-amine
CID 79730821
N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 81351686
2,2-diphenyl-N-pyrrolidin-3-ylacetamide
CID 21221994

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1-phenyl-N-pyrrolidin-3-ylethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-1-phenyl-N-pyrrolidin-3-ylethane-1,2-diamine (CID 79724005) is N',N'-dimethyl-1-phenyl-N-pyrrolidin-3-ylethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-1-phenyl-N-pyrrolidin-3-ylethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-1-phenyl-N-pyrrolidin-3-ylethane-1,2-diamine is CN(C)CC(NC1CCNC1)c1ccccc1.
What is the InChIKey of N',N'-dimethyl-1-phenyl-N-pyrrolidin-3-ylethane-1,2-diamine?
The InChIKey is BFJCLIBILBGDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-17(2)11-14(12-6-4-3-5-7-12)16-13-8-9-15-10-13/h3-7,13-16H,8-11H2,1-2H3.
What are the key properties of N',N'-dimethyl-1-phenyl-N-pyrrolidin-3-ylethane-1,2-diamine?
N',N'-dimethyl-1-phenyl-N-pyrrolidin-3-ylethane-1,2-diamine has a molecular weight of 233.36 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1-phenyl-N-pyrrolidin-3-ylethane-1,2-diamine is sourced from PubChem (CID 79724005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).