N-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine

C10H17N3 — CID 115213951

IUPACN-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine
SMILESCN(CC1CC(N)C1)c1ccc[nH]1
InChIInChI=1S/C10H17N3/c1-13(10-3-2-4-12-10)7-8-5-9(11)6-8/h2-4,8-9,12H,5-7,11H2,1H3
InChIKeyCIBJPUVWXMSUPC-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.19
Rot. Bonds3

About N-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine

N-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine (PubChem CID 115213951) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine
PubChem CID115213951
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine
SMILESCN(CC1CC(N)C1)c1ccc[nH]1
InChIInChI=1S/C10H17N3/c1-13(10-3-2-4-12-10)7-8-5-9(11)6-8/h2-4,8-9,12H,5-7,11H2,1H3
InChIKeyCIBJPUVWXMSUPC-UHFFFAOYSA-N
XLogP1.19
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(piperidin-3-ylmethyl)-1H-pyrrol-2-amine
CID 115209574
N-[(3-aminocyclobutyl)methyl]-N-methyl-4-phenylaniline
CID 115213933
N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-1-amine
CID 115214014
N-[(3-aminocyclobutyl)methyl]-N-methylnaphthalen-2-amine
CID 115214015
2-[methyl(1H-pyrrol-2-yl)amino]acetonitrile
CID 115130858
N-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline
CID 115213893
N-[(3-aminocyclobutyl)methyl]-N,3,4-trimethylaniline
CID 115213894
N-[(3-aminocyclobutyl)methyl]-N,2,4,5-tetramethylaniline
CID 115213957
N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylaniline
CID 115213895
N-[(3-aminocyclobutyl)methyl]-5-bromo-N-methylthiophen-2-amine
CID 115213922
N-[(3-aminocyclopentyl)methyl]-N-methylaniline
CID 66008204
4-[(3-aminocyclobutyl)methyl-methylamino]-5-iodo-1H-pyrimidin-6-one
CID 137008593

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine (CID 115213951) is N-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine is CN(CC1CC(N)C1)c1ccc[nH]1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine?
The InChIKey is CIBJPUVWXMSUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-13(10-3-2-4-12-10)7-8-5-9(11)6-8/h2-4,8-9,12H,5-7,11H2,1H3.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine?
N-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine has a molecular weight of 179.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-N-methyl-1H-pyrrol-2-amine is sourced from PubChem (CID 115213951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).