N-ethyl-2,2-dimethyl-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine

C18H31N3 — CID 79842615

IUPACN-ethyl-2,2-dimethyl-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCCNC1C(CN(C)Cc2ccncc2)CCCC1(C)C
InChIInChI=1S/C18H31N3/c1-5-20-17-16(7-6-10-18(17,2)3)14-21(4)13-15-8-11-19-12-9-15/h8-9,11-12,16-17,20H,5-7,10,13-14H2,1-4H3
InChIKeyUBMGYGNNPAPKKH-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.32
Rot. Bonds6

About N-ethyl-2,2-dimethyl-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine

N-ethyl-2,2-dimethyl-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 79842615) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
PubChem CID79842615
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-ethyl-2,2-dimethyl-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCCNC1C(CN(C)Cc2ccncc2)CCCC1(C)C
InChIInChI=1S/C18H31N3/c1-5-20-17-16(7-6-10-18(17,2)3)14-21(4)13-15-8-11-19-12-9-15/h8-9,11-12,16-17,20H,5-7,10,13-14H2,1-4H3
InChIKeyUBMGYGNNPAPKKH-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine (CID 79842615) is N-ethyl-2,2-dimethyl-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine is CCNC1C(CN(C)Cc2ccncc2)CCCC1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is UBMGYGNNPAPKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-20-17-16(7-6-10-18(17,2)3)14-21(4)13-15-8-11-19-12-9-15/h8-9,11-12,16-17,20H,5-7,10,13-14H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine?
N-ethyl-2,2-dimethyl-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 79842615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).