4-ethyl-2-(3-ethyl-4-methylpyrrolidin-1-yl)-7-methyl-N-[(2-methyl-3,4-dihydro-2H-azepin-5-yl)methyl]-4,5-dihydro-3H-azepin-5-amine

C24H40N4 — CID 91375149

IUPAC4-ethyl-2-(3-ethyl-4-methylpyrrolidin-1-yl)-7-methyl-N-[(2-methyl-3,4-dihydro-2H-azepin-5-yl)methyl]-4,5-dihydro-3H-azepin-5-amine
SMILESCCC1CN(C2=NC(C)=CC(NCC3=CC=NC(C)CC3)C(CC)C2)CC1C
InChIInChI=1S/C24H40N4/c1-6-21-13-24(28-15-17(3)22(7-2)16-28)27-19(5)12-23(21)26-14-20-9-8-18(4)25-11-10-20/h10-12,17-18,21-23,26H,6-9,13-16H2,1-5H3
InChIKeyZDBCCLBCELDAQD-UHFFFAOYSA-N
MW384.61 g/mol
LogP4.83
Rot. Bonds5

About 4-ethyl-2-(3-ethyl-4-methylpyrrolidin-1-yl)-7-methyl-N-[(2-methyl-3,4-dihydro-2H-azepin-5-yl)methyl]-4,5-dihydro-3H-azepin-5-amine

4-ethyl-2-(3-ethyl-4-methylpyrrolidin-1-yl)-7-methyl-N-[(2-methyl-3,4-dihydro-2H-azepin-5-yl)methyl]-4,5-dihydro-3H-azepin-5-amine (PubChem CID 91375149) has the molecular formula C24H40N4 and a molecular weight of 384.61 g/mol. Its IUPAC name is 4-ethyl-2-(3-ethyl-4-methylpyrrolidin-1-yl)-7-methyl-N-[(2-methyl-3,4-dihydro-2H-azepin-5-yl)methyl]-4,5-dihydro-3H-azepin-5-amine.

Molecular Properties

Compound Name4-ethyl-2-(3-ethyl-4-methylpyrrolidin-1-yl)-7-methyl-N-[(2-methyl-3,4-dihydro-2H-azepin-5-yl)methyl]-4,5-dihydro-3H-azepin-5-amine
PubChem CID91375149
Molecular FormulaC24H40N4
Molecular Weight384.61 g/mol
Exact Mass384.33
IUPAC Name4-ethyl-2-(3-ethyl-4-methylpyrrolidin-1-yl)-7-methyl-N-[(2-methyl-3,4-dihydro-2H-azepin-5-yl)methyl]-4,5-dihydro-3H-azepin-5-amine
SMILESCCC1CN(C2=NC(C)=CC(NCC3=CC=NC(C)CC3)C(CC)C2)CC1C
InChIInChI=1S/C24H40N4/c1-6-21-13-24(28-15-17(3)22(7-2)16-28)27-19(5)12-23(21)26-14-20-9-8-18(4)25-11-10-20/h10-12,17-18,21-23,26H,6-9,13-16H2,1-5H3
InChIKeyZDBCCLBCELDAQD-UHFFFAOYSA-N
XLogP4.83
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.61
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-2-(3-ethyl-4-methylpyrrolidin-1-yl)-7-methyl-N-[(2-methyl-3,4-dihydro-2H-azepin-5-yl)methyl]-4,5-dihydro-3H-azepin-5-amine with MolForge

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Related Compounds

(4E)-4-(6-imino-3,5-dimethylhexan-2-ylidene)-3-methyl-N-[(Z)-8-methylnon-4-en-4-yl]-2,3-dihydropyrrol-5-amine
CID 123845893
(10S)-4-methyl-6-(2-methyl-2,3-dihydropyridin-4-yl)-1,7,9-triazatricyclo[8.2.1.02,8]trideca-5,8-dien-10-amine
CID 164160292
5-but-1-en-2-yl-N-[1-[(3S)-3-ethylpyrrolidin-1-yl]ethenyl]-4-[(2E,4Z)-4-(methyliminomethyl)hexa-2,4-dien-3-yl]-1,3-dihydropyrrol-2-imine
CID 174025784

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-ethyl-4-methylpyrrolidin-1-yl)-7-methyl-N-[(2-methyl-3,4-dihydro-2H-azepin-5-yl)methyl]-4,5-dihydro-3H-azepin-5-amine?
The IUPAC name of 4-ethyl-2-(3-ethyl-4-methylpyrrolidin-1-yl)-7-methyl-N-[(2-methyl-3,4-dihydro-2H-azepin-5-yl)methyl]-4,5-dihydro-3H-azepin-5-amine (CID 91375149) is 4-ethyl-2-(3-ethyl-4-methylpyrrolidin-1-yl)-7-methyl-N-[(2-methyl-3,4-dihydro-2H-azepin-5-yl)methyl]-4,5-dihydro-3H-azepin-5-amine.
What is the SMILES notation for 4-ethyl-2-(3-ethyl-4-methylpyrrolidin-1-yl)-7-methyl-N-[(2-methyl-3,4-dihydro-2H-azepin-5-yl)methyl]-4,5-dihydro-3H-azepin-5-amine?
The canonical SMILES for 4-ethyl-2-(3-ethyl-4-methylpyrrolidin-1-yl)-7-methyl-N-[(2-methyl-3,4-dihydro-2H-azepin-5-yl)methyl]-4,5-dihydro-3H-azepin-5-amine is CCC1CN(C2=NC(C)=CC(NCC3=CC=NC(C)CC3)C(CC)C2)CC1C.
What is the InChIKey of 4-ethyl-2-(3-ethyl-4-methylpyrrolidin-1-yl)-7-methyl-N-[(2-methyl-3,4-dihydro-2H-azepin-5-yl)methyl]-4,5-dihydro-3H-azepin-5-amine?
The InChIKey is ZDBCCLBCELDAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N4/c1-6-21-13-24(28-15-17(3)22(7-2)16-28)27-19(5)12-23(21)26-14-20-9-8-18(4)25-11-10-20/h10-12,17-18,21-23,26H,6-9,13-16H2,1-5H3.
What are the key properties of 4-ethyl-2-(3-ethyl-4-methylpyrrolidin-1-yl)-7-methyl-N-[(2-methyl-3,4-dihydro-2H-azepin-5-yl)methyl]-4,5-dihydro-3H-azepin-5-amine?
4-ethyl-2-(3-ethyl-4-methylpyrrolidin-1-yl)-7-methyl-N-[(2-methyl-3,4-dihydro-2H-azepin-5-yl)methyl]-4,5-dihydro-3H-azepin-5-amine has a molecular weight of 384.61 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-ethyl-4-methylpyrrolidin-1-yl)-7-methyl-N-[(2-methyl-3,4-dihydro-2H-azepin-5-yl)methyl]-4,5-dihydro-3H-azepin-5-amine is sourced from PubChem (CID 91375149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).