N'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

C16H30N4 — CID 62282134

IUPACN'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCNCc1cccnc1N(CCN(C)C)CC(C)C
InChIInChI=1S/C16H30N4/c1-6-17-12-15-8-7-9-18-16(15)20(13-14(2)3)11-10-19(4)5/h7-9,14,17H,6,10-13H2,1-5H3
InChIKeyCQDMONJMHASUOT-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.22
Rot. Bonds9

About N'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine

N'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62282134) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62282134
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCCNCc1cccnc1N(CCN(C)C)CC(C)C
InChIInChI=1S/C16H30N4/c1-6-17-12-15-8-7-9-18-16(15)20(13-14(2)3)11-10-19(4)5/h7-9,14,17H,6,10-13H2,1-5H3
InChIKeyCQDMONJMHASUOT-UHFFFAOYSA-N
XLogP2.22
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine
CID 107871204
N,N-bis(2-methylpropyl)-3-(propylaminomethyl)pyridin-2-amine
CID 62283165
3-[(2-methylpropylamino)methyl]-N,N-dipropylpyridin-2-amine
CID 62285279
1-[methyl-[3-[(2-methylpropylamino)methyl]-2-pyridinyl]amino]propan-2-ol
CID 114056940
N-(2-methoxyethyl)-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 62282007
N-butan-2-yl-N-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62281070
3-[(cyclopropylamino)methyl]-N,N-bis(2-methylpropyl)pyridin-2-amine
CID 62283336
3-(ethylaminomethyl)-N-methyl-N-pentylpyridin-2-amine
CID 62279064
3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952630
[2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-3-fluoro-4-pyridinyl]methanol
CID 105383012
N-cyclohexyl-3-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 62285464
3-N-[2-(dimethylamino)ethyl]-3-N-(2-methylpropyl)pyrazine-2,3-diamine
CID 102985665

Frequently Asked Questions

What is the IUPAC name of N'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 62282134) is N'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is CCNCc1cccnc1N(CCN(C)C)CC(C)C.
What is the InChIKey of N'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is CQDMONJMHASUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-6-17-12-15-8-7-9-18-16(15)20(13-14(2)3)11-10-19(4)5/h7-9,14,17H,6,10-13H2,1-5H3.
What are the key properties of N'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(ethylaminomethyl)-2-pyridinyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62282134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).