N,N-dimethylmethanamine;N-ethyl-N-methylethanamine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine

C24H53N5 — CID 159297877

IUPACN,N-dimethylmethanamine;N-ethyl-N-methylethanamine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine
SMILESCCN(C)CC.CN(C)C.CN1CCCC1.CN1CCCCC1.Cn1cccc1
InChIInChI=1S/C6H13N.C5H11N.C5H7N.C5H13N.C3H9N/c1-7-5-3-2-4-6-7;2*1-6-4-2-3-5-6;1-4-6(3)5-2;1-4(2)3/h2-6H2,1H3;2-5H2,1H3;2-5H,1H3;4-5H2,1-3H3;1-3H3
InChIKeyLAYMIOFBSBBIJL-UHFFFAOYSA-N
MW411.72 g/mol
LogP3.97
Rot. Bonds2

About N,N-dimethylmethanamine;N-ethyl-N-methylethanamine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine

N,N-dimethylmethanamine;N-ethyl-N-methylethanamine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine (PubChem CID 159297877) has the molecular formula C24H53N5 and a molecular weight of 411.72 g/mol. Its IUPAC name is N,N-dimethylmethanamine;N-ethyl-N-methylethanamine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine.

Molecular Properties

Compound NameN,N-dimethylmethanamine;N-ethyl-N-methylethanamine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine
PubChem CID159297877
Molecular FormulaC24H53N5
Molecular Weight411.72 g/mol
Exact Mass411.43
IUPAC NameN,N-dimethylmethanamine;N-ethyl-N-methylethanamine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine
SMILESCCN(C)CC.CN(C)C.CN1CCCC1.CN1CCCCC1.Cn1cccc1
InChIInChI=1S/C6H13N.C5H11N.C5H7N.C5H13N.C3H9N/c1-7-5-3-2-4-6-7;2*1-6-4-2-3-5-6;1-4-6(3)5-2;1-4(2)3/h2-6H2,1H3;2-5H2,1H3;2-5H,1H3;4-5H2,1-3H3;1-3H3
InChIKeyLAYMIOFBSBBIJL-UHFFFAOYSA-N
XLogP3.97
TPSA17.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.72
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ethylpyrrole
CID 185226
1-Butylpyrrole
CID 68529
1-methyl-2-(tributylstannyl)-1H-pyrrole
CID 2769397
N,N-dimethyl-2-pyrrol-1-ylethanamine
CID 43394750
n-Pentylpyrrole
CID 557117
1H-Pyrrole, 1-propyl-
CID 521329
5-Pyrrol-1-yl-pentanenitrile
CID 10261235
1-n-Octylpyrrole
CID 10631204
1-methyl-4-(pyrrol-1-ylmethyl)-3,6-dihydro-2H-pyridine
CID 12740737
1-(4-Pyrrol-1-ylbutyl)pyrrole
CID 11041512
(z)-1-(Prop-1-en-1-yl)pyrrole
CID 15414825
1-(Tributylstannyl)-1H-pyrrole
CID 22345222

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;N-ethyl-N-methylethanamine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine?
The IUPAC name of N,N-dimethylmethanamine;N-ethyl-N-methylethanamine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine (CID 159297877) is N,N-dimethylmethanamine;N-ethyl-N-methylethanamine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine.
What is the SMILES notation for N,N-dimethylmethanamine;N-ethyl-N-methylethanamine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine?
The canonical SMILES for N,N-dimethylmethanamine;N-ethyl-N-methylethanamine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine is CCN(C)CC.CN(C)C.CN1CCCC1.CN1CCCCC1.Cn1cccc1.
What is the InChIKey of N,N-dimethylmethanamine;N-ethyl-N-methylethanamine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine?
The InChIKey is LAYMIOFBSBBIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H11N.C5H7N.C5H13N.C3H9N/c1-7-5-3-2-4-6-7;2*1-6-4-2-3-5-6;1-4-6(3)5-2;1-4(2)3/h2-6H2,1H3;2-5H2,1H3;2-5H,1H3;4-5H2,1-3H3;1-3H3.
What are the key properties of N,N-dimethylmethanamine;N-ethyl-N-methylethanamine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine?
N,N-dimethylmethanamine;N-ethyl-N-methylethanamine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine has a molecular weight of 411.72 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;N-ethyl-N-methylethanamine;1-methylpiperidine;1-methylpyrrole;1-methylpyrrolidine is sourced from PubChem (CID 159297877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).