1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]-N,N,4-trimethylpyrrolidin-3-amine

C17H35N3 — CID 81474572

IUPAC1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCNC1CCC(C)CC1CN1CC(C)C(N(C)C)C1
InChIInChI=1S/C17H35N3/c1-6-18-16-8-7-13(2)9-15(16)11-20-10-14(3)17(12-20)19(4)5/h13-18H,6-12H2,1-5H3
InChIKeyNWDZRCBDHDYHAD-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.28
Rot. Bonds5

About 1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]-N,N,4-trimethylpyrrolidin-3-amine

1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]-N,N,4-trimethylpyrrolidin-3-amine (PubChem CID 81474572) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]-N,N,4-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]-N,N,4-trimethylpyrrolidin-3-amine
PubChem CID81474572
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]-N,N,4-trimethylpyrrolidin-3-amine
SMILESCCNC1CCC(C)CC1CN1CC(C)C(N(C)C)C1
InChIInChI=1S/C17H35N3/c1-6-18-16-8-7-13(2)9-15(16)11-20-10-14(3)17(12-20)19(4)5/h13-18H,6-12H2,1-5H3
InChIKeyNWDZRCBDHDYHAD-UHFFFAOYSA-N
XLogP2.28
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]-N,N,4-trimethylpyrrolidin-3-amine?
The IUPAC name of 1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]-N,N,4-trimethylpyrrolidin-3-amine (CID 81474572) is 1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]-N,N,4-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]-N,N,4-trimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]-N,N,4-trimethylpyrrolidin-3-amine is CCNC1CCC(C)CC1CN1CC(C)C(N(C)C)C1.
What is the InChIKey of 1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]-N,N,4-trimethylpyrrolidin-3-amine?
The InChIKey is NWDZRCBDHDYHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-6-18-16-8-7-13(2)9-15(16)11-20-10-14(3)17(12-20)19(4)5/h13-18H,6-12H2,1-5H3.
What are the key properties of 1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]-N,N,4-trimethylpyrrolidin-3-amine?
1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]-N,N,4-trimethylpyrrolidin-3-amine has a molecular weight of 281.49 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]-N,N,4-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 81474572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).