1-[1-(ethylamino)-2-pyridin-4-ylethyl]-N,N,4-trimethylcyclohexan-1-amine

C18H31N3 — CID 79062078

IUPAC1-[1-(ethylamino)-2-pyridin-4-ylethyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCCNC(Cc1ccncc1)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C18H31N3/c1-5-20-17(14-16-8-12-19-13-9-16)18(21(3)4)10-6-15(2)7-11-18/h8-9,12-13,15,17,20H,5-7,10-11,14H2,1-4H3
InChIKeyRNOZQZNNNBGVGN-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.11
Rot. Bonds6

About 1-[1-(ethylamino)-2-pyridin-4-ylethyl]-N,N,4-trimethylcyclohexan-1-amine

1-[1-(ethylamino)-2-pyridin-4-ylethyl]-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 79062078) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-[1-(ethylamino)-2-pyridin-4-ylethyl]-N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-(ethylamino)-2-pyridin-4-ylethyl]-N,N,4-trimethylcyclohexan-1-amine
PubChem CID79062078
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-[1-(ethylamino)-2-pyridin-4-ylethyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESCCNC(Cc1ccncc1)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C18H31N3/c1-5-20-17(14-16-8-12-19-13-9-16)18(21(3)4)10-6-15(2)7-11-18/h8-9,12-13,15,17,20H,5-7,10-11,14H2,1-4H3
InChIKeyRNOZQZNNNBGVGN-UHFFFAOYSA-N
XLogP3.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethylamino)-2-pyridin-4-ylethyl]-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[1-(ethylamino)-2-pyridin-4-ylethyl]-N,N,4-trimethylcyclohexan-1-amine (CID 79062078) is 1-[1-(ethylamino)-2-pyridin-4-ylethyl]-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-(ethylamino)-2-pyridin-4-ylethyl]-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-(ethylamino)-2-pyridin-4-ylethyl]-N,N,4-trimethylcyclohexan-1-amine is CCNC(Cc1ccncc1)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of 1-[1-(ethylamino)-2-pyridin-4-ylethyl]-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is RNOZQZNNNBGVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-20-17(14-16-8-12-19-13-9-16)18(21(3)4)10-6-15(2)7-11-18/h8-9,12-13,15,17,20H,5-7,10-11,14H2,1-4H3.
What are the key properties of 1-[1-(ethylamino)-2-pyridin-4-ylethyl]-N,N,4-trimethylcyclohexan-1-amine?
1-[1-(ethylamino)-2-pyridin-4-ylethyl]-N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethylamino)-2-pyridin-4-ylethyl]-N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79062078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).