1-N,2-N,2-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine

C12H23N3 — CID 115133017

IUPAC1-N,2-N,2-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine
SMILESCNCC(C)(C)N(C)CCc1ccc[nH]1
InChIInChI=1S/C12H23N3/c1-12(2,10-13-3)15(4)9-7-11-6-5-8-14-11/h5-6,8,13-14H,7,9-10H2,1-4H3
InChIKeyDVTVTOUVIYTLGP-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.49
Rot. Bonds6

About 1-N,2-N,2-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine

1-N,2-N,2-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine (PubChem CID 115133017) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-N,2-N,2-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,2-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine
PubChem CID115133017
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-N,2-N,2-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine
SMILESCNCC(C)(C)N(C)CCc1ccc[nH]1
InChIInChI=1S/C12H23N3/c1-12(2,10-13-3)15(4)9-7-11-6-5-8-14-11/h5-6,8,13-14H,7,9-10H2,1-4H3
InChIKeyDVTVTOUVIYTLGP-UHFFFAOYSA-N
XLogP1.49
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Betahistine
CID 2366
Tc-2216
CID 10176607
2-(2-Pyrrolidinoethyl)pyridine
CID 238317
Pyridine, 2-(2-(methylamino)ethyl)-, hydrochloride
CID 203875
2-Methylpyrrole
CID 12489
N-methyl-1-(pyridin-2-yl)methanamine
CID 88757
2,4-Dimethylpyrrole
CID 39539
N-(2-benzyl),N-(1-methylpyrrol-2-ylmethyl)amine
CID 2222065
2-Phenylpyrrole
CID 72898
Piperazine, 2-pyridylethyl-
CID 566605
1-N,1-N-dimethyl-4-N-(pyridin-2-ylmethyl)benzene-1,4-diamine
CID 39247144
dimethyl[(1H-pyrrol-2-yl)methyl]amine
CID 260796

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,2-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine?
The IUPAC name of 1-N,2-N,2-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine (CID 115133017) is 1-N,2-N,2-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,2-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine?
The canonical SMILES for 1-N,2-N,2-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine is CNCC(C)(C)N(C)CCc1ccc[nH]1.
What is the InChIKey of 1-N,2-N,2-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine?
The InChIKey is DVTVTOUVIYTLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-12(2,10-13-3)15(4)9-7-11-6-5-8-14-11/h5-6,8,13-14H,7,9-10H2,1-4H3.
What are the key properties of 1-N,2-N,2-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine?
1-N,2-N,2-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine has a molecular weight of 209.34 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,2-trimethyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]propane-1,2-diamine is sourced from PubChem (CID 115133017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).