1-N-(3-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine

C14H21N3 — CID 80560827

IUPAC1-N-(3-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine
SMILESNC1CC(Nc2cccc(N3CCCC3)c2)C1
InChIInChI=1S/C14H21N3/c15-11-8-13(9-11)16-12-4-3-5-14(10-12)17-6-1-2-7-17/h3-5,10-11,13,16H,1-2,6-9,15H2
InChIKeyGIXQHFXKTYGBJB-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.19
Rot. Bonds3

About 1-N-(3-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine

1-N-(3-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine (PubChem CID 80560827) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-N-(3-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(3-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine
PubChem CID80560827
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-N-(3-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine
SMILESNC1CC(Nc2cccc(N3CCCC3)c2)C1
InChIInChI=1S/C14H21N3/c15-11-8-13(9-11)16-12-4-3-5-14(10-12)17-6-1-2-7-17/h3-5,10-11,13,16H,1-2,6-9,15H2
InChIKeyGIXQHFXKTYGBJB-UHFFFAOYSA-N
XLogP2.19
TPSA41.29 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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 60942193
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CID 80559779
N-(3-pyrrolidin-1-ylphenyl)pyrrolidin-3-amine
CID 79730271
1-methyl-N-(3-pyrrolidin-1-ylphenyl)azepan-4-amine
CID 65070389
4-ethyl-N-(3-pyrrolidin-1-ylphenyl)cycloheptan-1-amine
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1-N-(2-methyl-4-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine
CID 80559606
N-[3-(1H-imidazol-2-yl)cyclobutyl]-3-piperidin-1-ylaniline
CID 146102925
N-phosphanyl-3-pyrrolidin-1-ylaniline
CID 59272549
1-N-(3-methylsulfanylphenyl)cyclobutane-1,3-diamine
CID 80559355
1-N-(3-aminocyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376113
N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline
CID 62632471
4-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopent-2-ene-1-carboxamide
CID 79211271

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(3-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine (CID 80560827) is 1-N-(3-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(3-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(3-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine is NC1CC(Nc2cccc(N3CCCC3)c2)C1.
What is the InChIKey of 1-N-(3-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine?
The InChIKey is GIXQHFXKTYGBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c15-11-8-13(9-11)16-12-4-3-5-14(10-12)17-6-1-2-7-17/h3-5,10-11,13,16H,1-2,6-9,15H2.
What are the key properties of 1-N-(3-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine?
1-N-(3-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine has a molecular weight of 231.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-pyrrolidin-1-ylphenyl)cyclobutane-1,3-diamine is sourced from PubChem (CID 80560827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).