N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1H-pyrrol-3-amine

C11H19N3 — CID 115245714

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1H-pyrrol-3-amine
SMILESCN(CC1(CN)CCC1)c1cc[nH]c1
InChIInChI=1S/C11H19N3/c1-14(10-3-6-13-7-10)9-11(8-12)4-2-5-11/h3,6-7,13H,2,4-5,8-9,12H2,1H3
InChIKeyMOWMPWPTURVIQB-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.58
Rot. Bonds4

About N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1H-pyrrol-3-amine

N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1H-pyrrol-3-amine (PubChem CID 115245714) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1H-pyrrol-3-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1H-pyrrol-3-amine
PubChem CID115245714
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1H-pyrrol-3-amine
SMILESCN(CC1(CN)CCC1)c1cc[nH]c1
InChIInChI=1S/C11H19N3/c1-14(10-3-6-13-7-10)9-11(8-12)4-2-5-11/h3,6-7,13H,2,4-5,8-9,12H2,1H3
InChIKeyMOWMPWPTURVIQB-UHFFFAOYSA-N
XLogP1.58
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylaniline
CID 115448798
N-[[1-(aminomethyl)cyclopentyl]methyl]-N,4-dimethylaniline
CID 62259755
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methylnaphthalen-2-amine
CID 115245752
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115245672
5-[[1-(aminomethyl)cyclobutyl]methyl-methylamino]-1,3-dihydrobenzimidazol-2-one
CID 115245729
N-[[1-(aminomethyl)cyclobutyl]methyl]-N,6-dimethylnaphthalen-2-amine
CID 115245749
N-[[1-(aminomethyl)cyclopropyl]methyl]-N,4-dimethylaniline
CID 84778072
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-methoxy-N-methylaniline
CID 62261141
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-4-(1H-pyrrol-3-yl)butanamide
CID 115272233
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline
CID 115243941
N-[[1-(aminomethyl)cyclobutyl]methyl]-5-bromo-N-methylthiophen-2-amine
CID 115245691
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-amine
CID 115243960

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1H-pyrrol-3-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1H-pyrrol-3-amine (CID 115245714) is N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1H-pyrrol-3-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1H-pyrrol-3-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1H-pyrrol-3-amine is CN(CC1(CN)CCC1)c1cc[nH]c1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1H-pyrrol-3-amine?
The InChIKey is MOWMPWPTURVIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-14(10-3-6-13-7-10)9-11(8-12)4-2-5-11/h3,6-7,13H,2,4-5,8-9,12H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1H-pyrrol-3-amine?
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1H-pyrrol-3-amine has a molecular weight of 193.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1H-pyrrol-3-amine is sourced from PubChem (CID 115245714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).