N-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine

C14H21N3 — CID 79730271

IUPACN-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
SMILESc1cc(NC2CCNC2)cc(N2CCCC2)c1
InChIInChI=1S/C14H21N3/c1-2-9-17(8-1)14-5-3-4-12(10-14)16-13-6-7-15-11-13/h3-5,10,13,15-16H,1-2,6-9,11H2
InChIKeyAYCMZBWEEMMLQU-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.06
Rot. Bonds3

About N-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine

N-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine (PubChem CID 79730271) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
PubChem CID79730271
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
SMILESc1cc(NC2CCNC2)cc(N2CCCC2)c1
InChIInChI=1S/C14H21N3/c1-2-9-17(8-1)14-5-3-4-12(10-14)16-13-6-7-15-11-13/h3-5,10,13,15-16H,1-2,6-9,11H2
InChIKeyAYCMZBWEEMMLQU-UHFFFAOYSA-N
XLogP2.06
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 80560827
N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 60942193
1-methyl-N-(3-pyrrolidin-1-ylphenyl)azepan-4-amine
CID 65070389
N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 60928576
N-(4-pyrrolidin-1-ylphenyl)piperidin-4-amine
CID 61015948
3-[[(3R)-pyrrolidin-3-yl]amino]benzonitrile
CID 124512100
4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine
CID 65083445
N-(3-methylsulfonylphenyl)pyrrolidin-3-amine
CID 79730618
2-piperidin-4-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61030185
4-amino-3-[3-pyrrolidin-1-yl-5-(pyrrolidin-3-ylamino)anilino]benzamide
CID 59894277
N-phosphanyl-3-pyrrolidin-1-ylaniline
CID 59272549
N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline
CID 62632471

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine?
The IUPAC name of N-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine (CID 79730271) is N-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for N-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine?
The canonical SMILES for N-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine is c1cc(NC2CCNC2)cc(N2CCCC2)c1.
What is the InChIKey of N-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine?
The InChIKey is AYCMZBWEEMMLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-9-17(8-1)14-5-3-4-12(10-14)16-13-6-7-15-11-13/h3-5,10,13,15-16H,1-2,6-9,11H2.
What are the key properties of N-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine?
N-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine has a molecular weight of 231.34 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 79730271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).