N-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine

C13H22N2 — CID 115694288

IUPACN-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine
SMILESCCCC1(CNCc2cc[nH]c2)CCC1
InChIInChI=1S/C13H22N2/c1-2-5-13(6-3-7-13)11-15-10-12-4-8-14-9-12/h4,8-9,14-15H,2-3,5-7,10-11H2,1H3
InChIKeyJXPYTFNROGQSAP-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.07
Rot. Bonds6

About N-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine

N-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine (PubChem CID 115694288) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine
PubChem CID115694288
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine
SMILESCCCC1(CNCc2cc[nH]c2)CCC1
InChIInChI=1S/C13H22N2/c1-2-5-13(6-3-7-13)11-15-10-12-4-8-14-9-12/h4,8-9,14-15H,2-3,5-7,10-11H2,1H3
InChIKeyJXPYTFNROGQSAP-UHFFFAOYSA-N
XLogP3.07
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1H-pyrrol-3-ylmethylamino)methyl]cyclobutan-1-ol
CID 115686214
1-[(1H-pyrrol-3-ylmethylamino)methyl]cycloheptan-1-ol
CID 66410082
[4-[(1H-pyrrol-3-ylmethylamino)methyl]oxan-4-yl]methanol
CID 115751845
N-[(4-methyloxan-4-yl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 115686396
1-(1-methylpyrrol-3-yl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 115868047
N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-(1H-pyrrol-3-yl)ethanamine
CID 115246278
N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 66410016
1-(4-methylsulfanylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 114099622
N-[(1-propylcyclopropyl)methyl]-1-thiophen-3-ylmethanamine
CID 115696320
N-[(1-propylcyclobutyl)methyl]-1-thiophen-2-ylmethanamine
CID 115694272
3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide
CID 114181937
1-(3-fluoro-4-methylphenyl)-N-[(1-propylcyclopropyl)methyl]methanamine
CID 114099677

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine?
The IUPAC name of N-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine (CID 115694288) is N-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine.
What is the SMILES notation for N-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine?
The canonical SMILES for N-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine is CCCC1(CNCc2cc[nH]c2)CCC1.
What is the InChIKey of N-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine?
The InChIKey is JXPYTFNROGQSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-5-13(6-3-7-13)11-15-10-12-4-8-14-9-12/h4,8-9,14-15H,2-3,5-7,10-11H2,1H3.
What are the key properties of N-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine?
N-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine has a molecular weight of 206.33 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylcyclobutyl)methyl]-1-(1H-pyrrol-3-yl)methanamine is sourced from PubChem (CID 115694288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).