N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

C17H31N3 — CID 79604935

IUPACN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCn1c(C)cc(CNCC(C)CN2CCCC2)c1C
InChIInChI=1S/C17H31N3/c1-5-20-15(3)10-17(16(20)4)12-18-11-14(2)13-19-8-6-7-9-19/h10,14,18H,5-9,11-13H2,1-4H3
InChIKeyQBXGYXOIPUIOIA-UHFFFAOYSA-N
MW277.46 g/mol
LogP2.95
Rot. Bonds7

About N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 79604935) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID79604935
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
SMILESCCn1c(C)cc(CNCC(C)CN2CCCC2)c1C
InChIInChI=1S/C17H31N3/c1-5-20-15(3)10-17(16(20)4)12-18-11-14(2)13-19-8-6-7-9-19/h10,14,18H,5-9,11-13H2,1-4H3
InChIKeyQBXGYXOIPUIOIA-UHFFFAOYSA-N
XLogP2.95
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-piperidin-1-ylethanamine
CID 79605250
1,5-dimethyl-4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]pyrrole-2-carbonitrile
CID 115584550
2-methyl-N-[(2-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54893415
1-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]piperidine
CID 100793985
N-[(3,5-difluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115767635
N-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 114842325
2-methyl-N-[(3-methylphenyl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 54893417
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-morpholin-4-ylethanamine
CID 79604413
N-[(1-ethylpyrrol-2-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 66443633
2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 60957579
4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]benzonitrile
CID 60957478
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methylpentan-3-amine
CID 79605085

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine (CID 79604935) is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine is CCn1c(C)cc(CNCC(C)CN2CCCC2)c1C.
What is the InChIKey of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is QBXGYXOIPUIOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-20-15(3)10-17(16(20)4)12-18-11-14(2)13-19-8-6-7-9-19/h10,14,18H,5-9,11-13H2,1-4H3.
What are the key properties of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine?
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 79604935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).