3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine

C14H21Cl2N3 — CID 107421190

IUPAC3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine
SMILESCCNc1nc(NCC2CCCC2C)c(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3/c1-3-17-13-11(15)7-12(16)14(19-13)18-8-10-6-4-5-9(10)2/h7,9-10H,3-6,8H2,1-2H3,(H2,17,18,19)
InChIKeyIMSJOVZCRBBUOS-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.67
Rot. Bonds5

About 3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine

3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine (PubChem CID 107421190) has the molecular formula C14H21Cl2N3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine
PubChem CID107421190
Molecular FormulaC14H21Cl2N3
Molecular Weight302.25 g/mol
Exact Mass301.11
IUPAC Name3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine
SMILESCCNc1nc(NCC2CCCC2C)c(Cl)cc1Cl
InChIInChI=1S/C14H21Cl2N3/c1-3-17-13-11(15)7-12(16)14(19-13)18-8-10-6-4-5-9(10)2/h7,9-10H,3-6,8H2,1-2H3,(H2,17,18,19)
InChIKeyIMSJOVZCRBBUOS-UHFFFAOYSA-N
XLogP4.67
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
CID 102750821
5-chloro-2-methoxy-N-[(2-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107419339
3-chloro-5,6-dimethyl-N-[(2-methylcyclopentyl)methyl]pyrazin-2-amine
CID 107420127
6-N-ethyl-2-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,6-diamine
CID 107421241
6-N-ethyl-5-methyl-4-N-[(2-methylcyclopentyl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 107421253
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102759337
3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine
CID 102755904
[2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 102758815
3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
CID 63541675
5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 105369322
2-[[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80856601
2-[cyclopentyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide
CID 102757258

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine (CID 107421190) is 3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine is CCNc1nc(NCC2CCCC2C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine?
The InChIKey is IMSJOVZCRBBUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3/c1-3-17-13-11(15)7-12(16)14(19-13)18-8-10-6-4-5-9(10)2/h7,9-10H,3-6,8H2,1-2H3,(H2,17,18,19).
What are the key properties of 3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine?
3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine has a molecular weight of 302.25 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-N-ethyl-6-N-[(2-methylcyclopentyl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 107421190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).