N-[(2,2-dimethylcyclopropyl)-(6-methyl-3-pyridinyl)methyl]ethanamine

C14H22N2 — CID 107004419

IUPACN-[(2,2-dimethylcyclopropyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)C1CC1(C)C
InChIInChI=1S/C14H22N2/c1-5-15-13(12-8-14(12,3)4)11-7-6-10(2)16-9-11/h6-7,9,12-13,15H,5,8H2,1-4H3
InChIKeyIUSRGCBTDPECQN-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.09
Rot. Bonds4

About N-[(2,2-dimethylcyclopropyl)-(6-methyl-3-pyridinyl)methyl]ethanamine

N-[(2,2-dimethylcyclopropyl)-(6-methyl-3-pyridinyl)methyl]ethanamine (PubChem CID 107004419) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[(2,2-dimethylcyclopropyl)-(6-methyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,2-dimethylcyclopropyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
PubChem CID107004419
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[(2,2-dimethylcyclopropyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)nc1)C1CC1(C)C
InChIInChI=1S/C14H22N2/c1-5-15-13(12-8-14(12,3)4)11-7-6-10(2)16-9-11/h6-7,9,12-13,15H,5,8H2,1-4H3
InChIKeyIUSRGCBTDPECQN-UHFFFAOYSA-N
XLogP3.09
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-methyl-3-pyridinyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 105189219
N-[(6-methyl-3-pyridinyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115854998
N-[(2,2-dimethylcyclopropyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 107001147
N-[(2,2-dimethylcyclopropyl)-pyrimidin-5-ylmethyl]ethanamine
CID 107004233
N-[(4-tert-butylcyclohexyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 65415133
N-[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 64984458
N-[(3-ethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115388066
N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 105146207
N-[(2-methyloxolan-3-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854932
N-ethyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155732
N-[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2,2-dimethylcyclopropyl)methyl]ethanamine
CID 107001028
1-(2,2-dimethylcyclopentyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 107188705

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethylcyclopropyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(2,2-dimethylcyclopropyl)-(6-methyl-3-pyridinyl)methyl]ethanamine (CID 107004419) is N-[(2,2-dimethylcyclopropyl)-(6-methyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,2-dimethylcyclopropyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(2,2-dimethylcyclopropyl)-(6-methyl-3-pyridinyl)methyl]ethanamine is CCNC(c1ccc(C)nc1)C1CC1(C)C.
What is the InChIKey of N-[(2,2-dimethylcyclopropyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is IUSRGCBTDPECQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-15-13(12-8-14(12,3)4)11-7-6-10(2)16-9-11/h6-7,9,12-13,15H,5,8H2,1-4H3.
What are the key properties of N-[(2,2-dimethylcyclopropyl)-(6-methyl-3-pyridinyl)methyl]ethanamine?
N-[(2,2-dimethylcyclopropyl)-(6-methyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 218.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethylcyclopropyl)-(6-methyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 107004419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).