3-[2-[1-(dimethylamino)cyclohexyl]-2-(methylamino)ethyl]pyridin-4-amine

C16H28N4 — CID 79066965

IUPAC3-[2-[1-(dimethylamino)cyclohexyl]-2-(methylamino)ethyl]pyridin-4-amine
SMILESCNC(Cc1cnccc1N)C1(N(C)C)CCCCC1
InChIInChI=1S/C16H28N4/c1-18-15(11-13-12-19-10-7-14(13)17)16(20(2)3)8-5-4-6-9-16/h7,10,12,15,18H,4-6,8-9,11H2,1-3H3,(H2,17,19)
InChIKeyCSWNFSKTOGKLNK-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.06
Rot. Bonds5

About 3-[2-[1-(dimethylamino)cyclohexyl]-2-(methylamino)ethyl]pyridin-4-amine

3-[2-[1-(dimethylamino)cyclohexyl]-2-(methylamino)ethyl]pyridin-4-amine (PubChem CID 79066965) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 3-[2-[1-(dimethylamino)cyclohexyl]-2-(methylamino)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-[1-(dimethylamino)cyclohexyl]-2-(methylamino)ethyl]pyridin-4-amine
PubChem CID79066965
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name3-[2-[1-(dimethylamino)cyclohexyl]-2-(methylamino)ethyl]pyridin-4-amine
SMILESCNC(Cc1cnccc1N)C1(N(C)C)CCCCC1
InChIInChI=1S/C16H28N4/c1-18-15(11-13-12-19-10-7-14(13)17)16(20(2)3)8-5-4-6-9-16/h7,10,12,15,18H,4-6,8-9,11H2,1-3H3,(H2,17,19)
InChIKeyCSWNFSKTOGKLNK-UHFFFAOYSA-N
XLogP2.06
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[1-(dimethylamino)cyclohexyl]-2-(ethylamino)ethyl]pyridin-4-amine
CID 79061268
1-[2-(3-chloro-4-pyridinyl)-1-(methylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79064182
3-[2-(1-methoxycyclohexyl)-2-(methylamino)ethyl]pyridin-4-amine
CID 116763051
3-[[1-(dimethylamino)cyclohexyl]-(methylamino)methyl]pyridin-4-amine
CID 79066743
1-[2-(3-chloro-4-pyridinyl)-1-hydrazinylethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243834
1-[2-(2-bromophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79065996
1-[2-(3-chloro-4-pyridinyl)-1-(methylamino)ethyl]-N,N-diethylcyclopentan-1-amine
CID 79059412
1-[2-(2-chlorophenyl)-1-(methylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070452
3-[2-amino-2-(1-ethoxycyclohexyl)ethyl]pyridin-4-amine
CID 116763733
N,N-dimethyl-1-[1-(methylamino)-2-phenylethyl]cyclopentan-1-amine
CID 79070215
N,N-dimethyl-1-[1-(methylamino)-2-(4-methylphenyl)ethyl]cyclopentan-1-amine
CID 79070291
3-[2-(methylamino)-2-(4-propan-2-ylcyclohexyl)ethyl]pyridin-4-amine
CID 65425351

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(dimethylamino)cyclohexyl]-2-(methylamino)ethyl]pyridin-4-amine?
The IUPAC name of 3-[2-[1-(dimethylamino)cyclohexyl]-2-(methylamino)ethyl]pyridin-4-amine (CID 79066965) is 3-[2-[1-(dimethylamino)cyclohexyl]-2-(methylamino)ethyl]pyridin-4-amine.
What is the SMILES notation for 3-[2-[1-(dimethylamino)cyclohexyl]-2-(methylamino)ethyl]pyridin-4-amine?
The canonical SMILES for 3-[2-[1-(dimethylamino)cyclohexyl]-2-(methylamino)ethyl]pyridin-4-amine is CNC(Cc1cnccc1N)C1(N(C)C)CCCCC1.
What is the InChIKey of 3-[2-[1-(dimethylamino)cyclohexyl]-2-(methylamino)ethyl]pyridin-4-amine?
The InChIKey is CSWNFSKTOGKLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-18-15(11-13-12-19-10-7-14(13)17)16(20(2)3)8-5-4-6-9-16/h7,10,12,15,18H,4-6,8-9,11H2,1-3H3,(H2,17,19).
What are the key properties of 3-[2-[1-(dimethylamino)cyclohexyl]-2-(methylamino)ethyl]pyridin-4-amine?
3-[2-[1-(dimethylamino)cyclohexyl]-2-(methylamino)ethyl]pyridin-4-amine has a molecular weight of 276.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(dimethylamino)cyclohexyl]-2-(methylamino)ethyl]pyridin-4-amine is sourced from PubChem (CID 79066965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).