4-N-(3-methoxy-2-pyridinyl)cyclohexane-1,4-diamine

C12H19N3O — CID 83838435

IUPAC4-N-(3-methoxy-2-pyridinyl)cyclohexane-1,4-diamine
SMILESCOc1cccnc1NC1CCC(N)CC1
InChIInChI=1S/C12H19N3O/c1-16-11-3-2-8-14-12(11)15-10-6-4-9(13)5-7-10/h2-3,8-10H,4-7,13H2,1H3,(H,14,15)
InChIKeyBALIWMLRJKCJBD-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.77
Rot. Bonds3

About 4-N-(3-methoxy-2-pyridinyl)cyclohexane-1,4-diamine

4-N-(3-methoxy-2-pyridinyl)cyclohexane-1,4-diamine (PubChem CID 83838435) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-N-(3-methoxy-2-pyridinyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-methoxy-2-pyridinyl)cyclohexane-1,4-diamine
PubChem CID83838435
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-N-(3-methoxy-2-pyridinyl)cyclohexane-1,4-diamine
SMILESCOc1cccnc1NC1CCC(N)CC1
InChIInChI=1S/C12H19N3O/c1-16-11-3-2-8-14-12(11)15-10-6-4-9(13)5-7-10/h2-3,8-10H,4-7,13H2,1H3,(H,14,15)
InChIKeyBALIWMLRJKCJBD-UHFFFAOYSA-N
XLogP1.77
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Methoxyphenyl)-N'-(2-pyridinyl)thiourea
CID 686300
U 101958
CID 5615
N-methyl-2-(pyridin-3-yloxy)ethanamine
CID 9793858
(3-Ethoxy-pyridin-2-yl)-pyridin-2-yl-amine
CID 11321863
Bisanilinopyrimidine, 6f
CID 70702137
1-(2-Methoxyphenyl)-3-(5-methylpyridin-2-yl)urea
CID 808195
Cardiogenol C
CID 11345983
5-(Difluoromethoxy)pyridin-2-amine
CID 14665029
N~2~-(4-Methoxyphenyl)pyridine-2,3-diamine
CID 11447232
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)pyridin-2-amine
CID 49865599
1-(2-Ethoxyphenyl)-3-pyridin-2-ylurea
CID 6466207
N-(2-methoxyphenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 762653

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methoxy-2-pyridinyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3-methoxy-2-pyridinyl)cyclohexane-1,4-diamine (CID 83838435) is 4-N-(3-methoxy-2-pyridinyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3-methoxy-2-pyridinyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3-methoxy-2-pyridinyl)cyclohexane-1,4-diamine is COc1cccnc1NC1CCC(N)CC1.
What is the InChIKey of 4-N-(3-methoxy-2-pyridinyl)cyclohexane-1,4-diamine?
The InChIKey is BALIWMLRJKCJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-16-11-3-2-8-14-12(11)15-10-6-4-9(13)5-7-10/h2-3,8-10H,4-7,13H2,1H3,(H,14,15).
What are the key properties of 4-N-(3-methoxy-2-pyridinyl)cyclohexane-1,4-diamine?
4-N-(3-methoxy-2-pyridinyl)cyclohexane-1,4-diamine has a molecular weight of 221.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methoxy-2-pyridinyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 83838435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).