N,N,3-trimethyl-1-[[(5-methyl-3-pyridinyl)methylamino]methyl]cyclohexan-1-amine

C17H29N3 — CID 102880778

IUPACN,N,3-trimethyl-1-[[(5-methyl-3-pyridinyl)methylamino]methyl]cyclohexan-1-amine
SMILESCc1cncc(CNCC2(N(C)C)CCCC(C)C2)c1
InChIInChI=1S/C17H29N3/c1-14-6-5-7-17(9-14,20(3)4)13-19-12-16-8-15(2)10-18-11-16/h8,10-11,14,19H,5-7,9,12-13H2,1-4H3
InChIKeyKNGYESBDVBEVCO-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.99
Rot. Bonds5

About N,N,3-trimethyl-1-[[(5-methyl-3-pyridinyl)methylamino]methyl]cyclohexan-1-amine

N,N,3-trimethyl-1-[[(5-methyl-3-pyridinyl)methylamino]methyl]cyclohexan-1-amine (PubChem CID 102880778) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N,N,3-trimethyl-1-[[(5-methyl-3-pyridinyl)methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-1-[[(5-methyl-3-pyridinyl)methylamino]methyl]cyclohexan-1-amine
PubChem CID102880778
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN,N,3-trimethyl-1-[[(5-methyl-3-pyridinyl)methylamino]methyl]cyclohexan-1-amine
SMILESCc1cncc(CNCC2(N(C)C)CCCC(C)C2)c1
InChIInChI=1S/C17H29N3/c1-14-6-5-7-17(9-14,20(3)4)13-19-12-16-8-15(2)10-18-11-16/h8,10-11,14,19H,5-7,9,12-13H2,1-4H3
InChIKeyKNGYESBDVBEVCO-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-1-[[(5-methyl-3-pyridinyl)methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of N,N,3-trimethyl-1-[[(5-methyl-3-pyridinyl)methylamino]methyl]cyclohexan-1-amine (CID 102880778) is N,N,3-trimethyl-1-[[(5-methyl-3-pyridinyl)methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N,3-trimethyl-1-[[(5-methyl-3-pyridinyl)methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for N,N,3-trimethyl-1-[[(5-methyl-3-pyridinyl)methylamino]methyl]cyclohexan-1-amine is Cc1cncc(CNCC2(N(C)C)CCCC(C)C2)c1.
What is the InChIKey of N,N,3-trimethyl-1-[[(5-methyl-3-pyridinyl)methylamino]methyl]cyclohexan-1-amine?
The InChIKey is KNGYESBDVBEVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-14-6-5-7-17(9-14,20(3)4)13-19-12-16-8-15(2)10-18-11-16/h8,10-11,14,19H,5-7,9,12-13H2,1-4H3.
What are the key properties of N,N,3-trimethyl-1-[[(5-methyl-3-pyridinyl)methylamino]methyl]cyclohexan-1-amine?
N,N,3-trimethyl-1-[[(5-methyl-3-pyridinyl)methylamino]methyl]cyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-1-[[(5-methyl-3-pyridinyl)methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 102880778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).