N-methyl-N-(3H-pyrrol-5-ylmethyl)ethanamine

C8H14N2 — CID 145467219

IUPACN-methyl-N-(3H-pyrrol-5-ylmethyl)ethanamine
SMILESCCN(C)CC1=CCC=N1
InChIInChI=1S/C8H14N2/c1-3-10(2)7-8-5-4-6-9-8/h5-6H,3-4,7H2,1-2H3
InChIKeyYHJKUQQHXBXKPW-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.30
Rot. Bonds3

About N-methyl-N-(3H-pyrrol-5-ylmethyl)ethanamine

N-methyl-N-(3H-pyrrol-5-ylmethyl)ethanamine (PubChem CID 145467219) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-methyl-N-(3H-pyrrol-5-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-N-(3H-pyrrol-5-ylmethyl)ethanamine
PubChem CID145467219
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-methyl-N-(3H-pyrrol-5-ylmethyl)ethanamine
SMILESCCN(C)CC1=CCC=N1
InChIInChI=1S/C8H14N2/c1-3-10(2)7-8-5-4-6-9-8/h5-6H,3-4,7H2,1-2H3
InChIKeyYHJKUQQHXBXKPW-UHFFFAOYSA-N
XLogP1.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-dimethyl-3H-pyrrol-1-ium
CID 53651793
N,N-dimethyl-2,5-dihydropyridin-4-amine
CID 57063053
N-methyl-1-(3H-pyrrol-5-yl)methanamine
CID 59927603
1-(3,4-Dihydropyridin-6-ylmethyl)-4-methylpiperazine
CID 122519367
1-(3,4-dihydropyridin-6-yl)-N,N-dimethylmethanamine
CID 138464061
N-(3H-pyrrol-5-ylmethyl)but-1-en-2-amine
CID 146416636
ethane;1-ethyl-4-(3H-pyrrol-5-ylmethyl)piperazine
CID 166462638
(6E)-6-ethylidene-1,5-dimethyl-2,5-dihydropyrazine
CID 166645957
3-isocyano-1,5-dimethyl-3H-pyrrol-1-ium
CID 172513811
(2E)-1-methyl-3-methylidene-2-[(Z)-pent-2-enylidene]pyrazin-1-ium
CID 175635843
(3E)-4-methyl-3-[(Z)-pent-2-enylidene]-2H-pyrazin-4-ium
CID 175635930
1-ethyl-5-methyl-3H-pyrrol-1-ium
CID 160833417

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3H-pyrrol-5-ylmethyl)ethanamine?
The IUPAC name of N-methyl-N-(3H-pyrrol-5-ylmethyl)ethanamine (CID 145467219) is N-methyl-N-(3H-pyrrol-5-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-N-(3H-pyrrol-5-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-N-(3H-pyrrol-5-ylmethyl)ethanamine is CCN(C)CC1=CCC=N1.
What is the InChIKey of N-methyl-N-(3H-pyrrol-5-ylmethyl)ethanamine?
The InChIKey is YHJKUQQHXBXKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-10(2)7-8-5-4-6-9-8/h5-6H,3-4,7H2,1-2H3.
What are the key properties of N-methyl-N-(3H-pyrrol-5-ylmethyl)ethanamine?
N-methyl-N-(3H-pyrrol-5-ylmethyl)ethanamine has a molecular weight of 138.21 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3H-pyrrol-5-ylmethyl)ethanamine is sourced from PubChem (CID 145467219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).