4-ethyl-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]cyclobutyl]-1-[[3-(methylamino)cyclopentyl]methyl]pyrrolidin-3-amine

C24H46N4 — CID 155331374

IUPAC4-ethyl-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]cyclobutyl]-1-[[3-(methylamino)cyclopentyl]methyl]pyrrolidin-3-amine
SMILESCCC1CCN(CC2CC(NC3CN(CC4CCC(NC)C4)CC3CC)C2)C1
InChIInChI=1S/C24H46N4/c1-4-18-8-9-27(13-18)15-20-11-23(12-20)26-24-17-28(16-21(24)5-2)14-19-6-7-22(10-19)25-3/h18-26H,4-17H2,1-3H3
InChIKeyRVXHYXZNCCIITB-UHFFFAOYSA-N
MW390.66 g/mol
LogP3.18
Rot. Bonds9

About 4-ethyl-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]cyclobutyl]-1-[[3-(methylamino)cyclopentyl]methyl]pyrrolidin-3-amine

4-ethyl-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]cyclobutyl]-1-[[3-(methylamino)cyclopentyl]methyl]pyrrolidin-3-amine (PubChem CID 155331374) has the molecular formula C24H46N4 and a molecular weight of 390.66 g/mol. Its IUPAC name is 4-ethyl-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]cyclobutyl]-1-[[3-(methylamino)cyclopentyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name4-ethyl-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]cyclobutyl]-1-[[3-(methylamino)cyclopentyl]methyl]pyrrolidin-3-amine
PubChem CID155331374
Molecular FormulaC24H46N4
Molecular Weight390.66 g/mol
Exact Mass390.37
IUPAC Name4-ethyl-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]cyclobutyl]-1-[[3-(methylamino)cyclopentyl]methyl]pyrrolidin-3-amine
SMILESCCC1CCN(CC2CC(NC3CN(CC4CCC(NC)C4)CC3CC)C2)C1
InChIInChI=1S/C24H46N4/c1-4-18-8-9-27(13-18)15-20-11-23(12-20)26-24-17-28(16-21(24)5-2)14-19-6-7-22(10-19)25-3/h18-26H,4-17H2,1-3H3
InChIKeyRVXHYXZNCCIITB-UHFFFAOYSA-N
XLogP3.18
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.66
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethylpiperidin-1-yl)methyl]-N-methylcyclopentan-1-amine
CID 164846388
4-[(3-ethylazetidin-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 155331377
(3R)-3-ethyl-N-methylcyclopentan-1-amine
CID 143473182
[[2-[(3-ethylpyrrolidin-1-yl)methyl]cyclopropyl]amino]-(methylamino)methanol
CID 20714179
1-[1-[(4-ethylcyclohexyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 62513783
1-(cyclopropylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991199
3-ethyl-N-methyl-1-(oxolan-3-ylmethyl)piperidin-4-amine
CID 114507784
amino-[[(3S)-3-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]amino]methanol
CID 142001342
1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995985
3-ethyl-1-[(4-ethylcyclohexyl)methyl]azetidine
CID 130320709
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62511549
1-(cyclopentylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991259

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]cyclobutyl]-1-[[3-(methylamino)cyclopentyl]methyl]pyrrolidin-3-amine?
The IUPAC name of 4-ethyl-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]cyclobutyl]-1-[[3-(methylamino)cyclopentyl]methyl]pyrrolidin-3-amine (CID 155331374) is 4-ethyl-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]cyclobutyl]-1-[[3-(methylamino)cyclopentyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for 4-ethyl-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]cyclobutyl]-1-[[3-(methylamino)cyclopentyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for 4-ethyl-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]cyclobutyl]-1-[[3-(methylamino)cyclopentyl]methyl]pyrrolidin-3-amine is CCC1CCN(CC2CC(NC3CN(CC4CCC(NC)C4)CC3CC)C2)C1.
What is the InChIKey of 4-ethyl-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]cyclobutyl]-1-[[3-(methylamino)cyclopentyl]methyl]pyrrolidin-3-amine?
The InChIKey is RVXHYXZNCCIITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4/c1-4-18-8-9-27(13-18)15-20-11-23(12-20)26-24-17-28(16-21(24)5-2)14-19-6-7-22(10-19)25-3/h18-26H,4-17H2,1-3H3.
What are the key properties of 4-ethyl-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]cyclobutyl]-1-[[3-(methylamino)cyclopentyl]methyl]pyrrolidin-3-amine?
4-ethyl-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]cyclobutyl]-1-[[3-(methylamino)cyclopentyl]methyl]pyrrolidin-3-amine has a molecular weight of 390.66 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-[(3-ethylpyrrolidin-1-yl)methyl]cyclobutyl]-1-[[3-(methylamino)cyclopentyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 155331374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).