[1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine

C11H19N3 — CID 116943976

IUPAC[1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine
SMILESCNCC1(C(N)c2cc[nH]c2)CCC1
InChIInChI=1S/C11H19N3/c1-13-8-11(4-2-5-11)10(12)9-3-6-14-7-9/h3,6-7,10,13-14H,2,4-5,8,12H2,1H3
InChIKeyNCRVAAJQDVGLNB-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.40
Rot. Bonds4

About [1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine

[1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine (PubChem CID 116943976) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is [1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine.

Molecular Properties

Compound Name[1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine
PubChem CID116943976
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name[1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine
SMILESCNCC1(C(N)c2cc[nH]c2)CCC1
InChIInChI=1S/C11H19N3/c1-13-8-11(4-2-5-11)10(12)9-3-6-14-7-9/h3,6-7,10,13-14H,2,4-5,8,12H2,1H3
InChIKeyNCRVAAJQDVGLNB-UHFFFAOYSA-N
XLogP1.40
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[amino(1H-pyrrol-3-yl)methyl]cyclobutyl]methanol
CID 116944203
[1-[amino(1H-pyrrol-3-yl)methyl]cyclopropyl]methanol
CID 116943238
(4-tert-butylphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943497
1,3-benzodioxol-5-yl-[1-(methylaminomethyl)cyclobutyl]methanamine
CID 116943952
[1-(methylaminomethyl)cyclobutyl]-(2-methyl-5-propan-2-ylphenyl)methanamine
CID 116943982
[1-(methylaminomethyl)cyclopropyl]-(4-phenylphenyl)methanamine
CID 116943537
[1-(methylaminomethyl)cyclobutyl]-(2,4,6-trimethylphenyl)methanamine
CID 116943957
(2,4-difluorophenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine
CID 116943971
1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carbonitrile
CID 116958677
1-[methylamino(1H-pyrrol-3-yl)methyl]cyclobutane-1-carboxylic acid
CID 116958953
(4-ethoxyphenyl)-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116943533
(4-methoxy-2,3-dimethylphenyl)-[1-(methylaminomethyl)cyclobutyl]methanamine
CID 116943979

Frequently Asked Questions

What is the IUPAC name of [1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine?
The IUPAC name of [1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine (CID 116943976) is [1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine.
What is the SMILES notation for [1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine?
The canonical SMILES for [1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine is CNCC1(C(N)c2cc[nH]c2)CCC1.
What is the InChIKey of [1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine?
The InChIKey is NCRVAAJQDVGLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-13-8-11(4-2-5-11)10(12)9-3-6-14-7-9/h3,6-7,10,13-14H,2,4-5,8,12H2,1H3.
What are the key properties of [1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine?
[1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine has a molecular weight of 193.29 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methylaminomethyl)cyclobutyl]-(1H-pyrrol-3-yl)methanamine is sourced from PubChem (CID 116943976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).