N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine

C14H25N3 — CID 115245998

IUPACN-[[1-(aminomethyl)cyclobutyl]methyl]-2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine
SMILESCC(C)(CNCC1(CN)CCC1)c1cc[nH]c1
InChIInChI=1S/C14H25N3/c1-13(2,12-4-7-16-8-12)10-17-11-14(9-15)5-3-6-14/h4,7-8,16-17H,3,5-6,9-11,15H2,1-2H3
InChIKeyJUYSLSCBWCKKBU-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.01
Rot. Bonds6

About N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine

N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine (PubChem CID 115245998) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine
PubChem CID115245998
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[[1-(aminomethyl)cyclobutyl]methyl]-2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine
SMILESCC(C)(CNCC1(CN)CCC1)c1cc[nH]c1
InChIInChI=1S/C14H25N3/c1-13(2,12-4-7-16-8-12)10-17-11-14(9-15)5-3-6-14/h4,7-8,16-17H,3,5-6,9-11,15H2,1-2H3
InChIKeyJUYSLSCBWCKKBU-UHFFFAOYSA-N
XLogP2.01
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methyl]cyclobutyl]methanol
CID 115247180
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)-2-methylpropan-1-amine
CID 115244439
[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol
CID 115229652
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-methyl-2-(3-methylphenyl)propan-1-amine
CID 115244454
N-[[1-(aminomethyl)cyclobutyl]methyl]-2,2,3,3-tetramethylbutan-1-amine
CID 115245990
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-(4-methylphenyl)propan-1-amine
CID 115249649
methyl 4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]butanoate
CID 115233545
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-1H-pyrrol-3-amine
CID 115245714
2,2-dimethyl-4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]butanoic acid
CID 115221241
N-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 115694288
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-2-methyl-2-pyridin-3-ylpropan-1-amine
CID 115249662
2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-pyridin-3-ylpropan-1-amine
CID 115246344

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine (CID 115245998) is N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine is CC(C)(CNCC1(CN)CCC1)c1cc[nH]c1.
What is the InChIKey of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine?
The InChIKey is JUYSLSCBWCKKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-13(2,12-4-7-16-8-12)10-17-11-14(9-15)5-3-6-14/h4,7-8,16-17H,3,5-6,9-11,15H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine?
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine is sourced from PubChem (CID 115245998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).