N-ethyl-3-methyl-3-piperidin-1-yl-1-pyridin-3-ylpentan-2-amine

C18H31N3 — CID 104736506

IUPACN-ethyl-3-methyl-3-piperidin-1-yl-1-pyridin-3-ylpentan-2-amine
SMILESCCNC(Cc1cccnc1)C(C)(CC)N1CCCCC1
InChIInChI=1S/C18H31N3/c1-4-18(3,21-12-7-6-8-13-21)17(20-5-2)14-16-10-9-11-19-15-16/h9-11,15,17,20H,4-8,12-14H2,1-3H3
InChIKeyGIGDDUPKLPXHRN-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.26
Rot. Bonds7

About N-ethyl-3-methyl-3-piperidin-1-yl-1-pyridin-3-ylpentan-2-amine

N-ethyl-3-methyl-3-piperidin-1-yl-1-pyridin-3-ylpentan-2-amine (PubChem CID 104736506) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-ethyl-3-methyl-3-piperidin-1-yl-1-pyridin-3-ylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-3-piperidin-1-yl-1-pyridin-3-ylpentan-2-amine
PubChem CID104736506
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-ethyl-3-methyl-3-piperidin-1-yl-1-pyridin-3-ylpentan-2-amine
SMILESCCNC(Cc1cccnc1)C(C)(CC)N1CCCCC1
InChIInChI=1S/C18H31N3/c1-4-18(3,21-12-7-6-8-13-21)17(20-5-2)14-16-10-9-11-19-15-16/h9-11,15,17,20H,4-8,12-14H2,1-3H3
InChIKeyGIGDDUPKLPXHRN-UHFFFAOYSA-N
XLogP3.26
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
CID 104736482
3-methyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-amine
CID 104736500
3-methyl-N-propyl-1-pyridin-3-yl-3-pyrrolidin-1-ylbutan-2-amine
CID 104736483
N-ethyl-1,1,1-trifluoro-3-pyridin-3-ylpropan-2-amine
CID 66468597
3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol
CID 104736143
1-(5-bromo-3-pyridinyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine
CID 104802967
1-(4-tert-butylcyclohexyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 104736394
[1-(5-bromo-3-pyridinyl)-3-methyl-3-pyrrolidin-1-ylpentan-2-yl]hydrazine
CID 105241024
N-ethyl-3,7,7-trimethyl-3-piperidin-1-yloctan-4-amine
CID 79064855
1-(4-ethylphenyl)-N,3-dimethyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79059308
1-(4-bromophenyl)-N,3-dimethyl-3-piperidin-1-ylpentan-2-amine
CID 79060487
N,3-dimethyl-1-(1-methylpyrazol-4-yl)-3-pyrrolidin-1-ylpentan-2-amine
CID 79068880

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-3-piperidin-1-yl-1-pyridin-3-ylpentan-2-amine?
The IUPAC name of N-ethyl-3-methyl-3-piperidin-1-yl-1-pyridin-3-ylpentan-2-amine (CID 104736506) is N-ethyl-3-methyl-3-piperidin-1-yl-1-pyridin-3-ylpentan-2-amine.
What is the SMILES notation for N-ethyl-3-methyl-3-piperidin-1-yl-1-pyridin-3-ylpentan-2-amine?
The canonical SMILES for N-ethyl-3-methyl-3-piperidin-1-yl-1-pyridin-3-ylpentan-2-amine is CCNC(Cc1cccnc1)C(C)(CC)N1CCCCC1.
What is the InChIKey of N-ethyl-3-methyl-3-piperidin-1-yl-1-pyridin-3-ylpentan-2-amine?
The InChIKey is GIGDDUPKLPXHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-4-18(3,21-12-7-6-8-13-21)17(20-5-2)14-16-10-9-11-19-15-16/h9-11,15,17,20H,4-8,12-14H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-3-piperidin-1-yl-1-pyridin-3-ylpentan-2-amine?
N-ethyl-3-methyl-3-piperidin-1-yl-1-pyridin-3-ylpentan-2-amine has a molecular weight of 289.47 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-3-piperidin-1-yl-1-pyridin-3-ylpentan-2-amine is sourced from PubChem (CID 104736506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).