3-methyl-3-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine

C11H21N3 — CID 115134941

IUPAC3-methyl-3-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine
SMILESCC(C)(CCN)NCCc1ccc[nH]1
InChIInChI=1S/C11H21N3/c1-11(2,6-7-12)14-9-5-10-4-3-8-13-10/h3-4,8,13-14H,5-7,9,12H2,1-2H3
InChIKeyVBZUWHQZPJQIHC-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.27
Rot. Bonds6

About 3-methyl-3-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine

3-methyl-3-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine (PubChem CID 115134941) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-methyl-3-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-3-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine
PubChem CID115134941
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-methyl-3-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine
SMILESCC(C)(CCN)NCCc1ccc[nH]1
InChIInChI=1S/C11H21N3/c1-11(2,6-7-12)14-9-5-10-4-3-8-13-10/h3-4,8,13-14H,5-7,9,12H2,1-2H3
InChIKeyVBZUWHQZPJQIHC-UHFFFAOYSA-N
XLogP1.27
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-(1H-pyrrol-2-yl)pentan-2-amine
CID 116925231
3-methyl-3-N-[2-(4-methylphenyl)ethyl]butane-1,3-diamine
CID 115134895
3-methyl-3-N-(2-pyridin-4-ylethyl)butane-1,3-diamine
CID 115134973
2-methyl-4-(1H-pyrrol-2-yl)butan-1-amine
CID 116924952
3-methyl-3-piperazin-1-yl-N-[2-(1H-pyrrol-2-yl)ethyl]butan-1-amine
CID 115255592
N',2,2-trimethyl-N'-[2-(1H-pyrrol-2-yl)ethyl]butane-1,4-diamine
CID 115205056
2-(1H-pyrrol-2-yl)ethylazanium
CID 51919094
3-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 130637988
1-N,3-dimethyl-1-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine
CID 115200886
N-(2-chloroethyl)-2-(1H-pyrrol-2-yl)ethanamine
CID 115215062
2-oxo-N-[2-(1H-pyrrol-2-yl)ethyl]acetamide
CID 115166553
1-N,2-N,2-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine
CID 115133017

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine?
The IUPAC name of 3-methyl-3-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine (CID 115134941) is 3-methyl-3-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine.
What is the SMILES notation for 3-methyl-3-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine?
The canonical SMILES for 3-methyl-3-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine is CC(C)(CCN)NCCc1ccc[nH]1.
What is the InChIKey of 3-methyl-3-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine?
The InChIKey is VBZUWHQZPJQIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-11(2,6-7-12)14-9-5-10-4-3-8-13-10/h3-4,8,13-14H,5-7,9,12H2,1-2H3.
What are the key properties of 3-methyl-3-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine?
3-methyl-3-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine has a molecular weight of 195.31 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-N-[2-(1H-pyrrol-2-yl)ethyl]butane-1,3-diamine is sourced from PubChem (CID 115134941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).