3-chloro-5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine

C16H27ClN4 — CID 79311002

IUPAC3-chloro-5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
SMILESCCNCc1cnc(N(C)CC2CCCN2CC)c(Cl)c1
InChIInChI=1S/C16H27ClN4/c1-4-18-10-13-9-15(17)16(19-11-13)20(3)12-14-7-6-8-21(14)5-2/h9,11,14,18H,4-8,10,12H2,1-3H3
InChIKeyIGCWLRXELRSKJR-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.77
Rot. Bonds7

About 3-chloro-5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine

3-chloro-5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine (PubChem CID 79311002) has the molecular formula C16H27ClN4 and a molecular weight of 310.87 g/mol. Its IUPAC name is 3-chloro-5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
PubChem CID79311002
Molecular FormulaC16H27ClN4
Molecular Weight310.87 g/mol
Exact Mass310.19
IUPAC Name3-chloro-5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
SMILESCCNCc1cnc(N(C)CC2CCCN2CC)c(Cl)c1
InChIInChI=1S/C16H27ClN4/c1-4-18-10-13-9-15(17)16(19-11-13)20(3)12-14-7-6-8-21(14)5-2/h9,11,14,18H,4-8,10,12H2,1-3H3
InChIKeyIGCWLRXELRSKJR-UHFFFAOYSA-N
XLogP2.77
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 79319665
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 107380506
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-chloro-5-(ethylaminomethyl)-N-methylpyridin-2-amine
CID 63683088
4-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-fluoro-N-methylpyridin-2-amine
CID 105390101
N'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63701057
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83185525
3-chloro-2-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 79310972
5-chloro-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyridine-4-carboxylic acid
CID 114919785
5-bromo-3-(chloromethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 79318610
3-chloro-5-(ethylaminomethyl)-N-methyl-N-(4-methylcyclohexyl)pyridin-2-amine
CID 62287804
4-(aminomethyl)-5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine
CID 114926731
3-chloro-N-(cyclopropylmethyl)-5-(ethylaminomethyl)-N-propan-2-ylpyridin-2-amine
CID 62287460

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-chloro-5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine (CID 79311002) is 3-chloro-5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-chloro-5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-chloro-5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine is CCNCc1cnc(N(C)CC2CCCN2CC)c(Cl)c1.
What is the InChIKey of 3-chloro-5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine?
The InChIKey is IGCWLRXELRSKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN4/c1-4-18-10-13-9-15(17)16(19-11-13)20(3)12-14-7-6-8-21(14)5-2/h9,11,14,18H,4-8,10,12H2,1-3H3.
What are the key properties of 3-chloro-5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine?
3-chloro-5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine has a molecular weight of 310.87 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 79311002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).