N-[[3-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine

C15H27N3 — CID 114199004

IUPACN-[[3-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine
SMILESCCNCc1cccnc1CN(C)C(C)C(C)C
InChIInChI=1S/C15H27N3/c1-6-16-10-14-8-7-9-17-15(14)11-18(5)13(4)12(2)3/h7-9,12-13,16H,6,10-11H2,1-5H3
InChIKeyUERFZLVRBSYDAY-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.67
Rot. Bonds7

About N-[[3-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine

N-[[3-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine (PubChem CID 114199004) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine
PubChem CID114199004
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[[3-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine
SMILESCCNCc1cccnc1CN(C)C(C)C(C)C
InChIInChI=1S/C15H27N3/c1-6-16-10-14-8-7-9-17-15(14)11-18(5)13(4)12(2)3/h7-9,12-13,16H,6,10-11H2,1-5H3
InChIKeyUERFZLVRBSYDAY-UHFFFAOYSA-N
XLogP2.67
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine
CID 106905884
N-[[2-[2-(ethylamino)ethyl]phenyl]methyl]-N,3-dimethylbutan-2-amine
CID 115463727
N-methyl-N-[[3-[(2-methylpropylamino)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 114198984
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 61373670
N'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62282134
3-(ethylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine
CID 107871204
N-[[2-(ethylaminomethyl)-1-benzofuran-3-yl]methyl]-N,3-dimethylbutan-2-amine
CID 62433185
N-[[2-[[methyl(prop-2-enyl)amino]methyl]-3-pyridinyl]methyl]propan-1-amine
CID 114199097
N-cyclohexyl-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62285464
N-[2-[[3-(ethylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505728
N-[[4-(ethylaminomethyl)furan-2-yl]methyl]-N,3-dimethylbutan-2-amine
CID 62433190
N-[(2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine
CID 63805494

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine?
The IUPAC name of N-[[3-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine (CID 114199004) is N-[[3-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine.
What is the SMILES notation for N-[[3-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine?
The canonical SMILES for N-[[3-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine is CCNCc1cccnc1CN(C)C(C)C(C)C.
What is the InChIKey of N-[[3-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine?
The InChIKey is UERFZLVRBSYDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-16-10-14-8-7-9-17-15(14)11-18(5)13(4)12(2)3/h7-9,12-13,16H,6,10-11H2,1-5H3.
What are the key properties of N-[[3-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine?
N-[[3-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylaminomethyl)-2-pyridinyl]methyl]-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 114199004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).