4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine

C15H25N3O — CID 79741488

IUPAC4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine
SMILESCC(C)Oc1ncccc1CNC1CCC(N)CC1
InChIInChI=1S/C15H25N3O/c1-11(2)19-15-12(4-3-9-17-15)10-18-14-7-5-13(16)6-8-14/h3-4,9,11,13-14,18H,5-8,10,16H2,1-2H3
InChIKeyKZLFGLKTHGOHSX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.23
Rot. Bonds5

About 4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine

4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine (PubChem CID 79741488) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine
PubChem CID79741488
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine
SMILESCC(C)Oc1ncccc1CNC1CCC(N)CC1
InChIInChI=1S/C15H25N3O/c1-11(2)19-15-12(4-3-9-17-15)10-18-14-7-5-13(16)6-8-14/h3-4,9,11,13-14,18H,5-8,10,16H2,1-2H3
InChIKeyKZLFGLKTHGOHSX-UHFFFAOYSA-N
XLogP2.23
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
4-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexan-1-amine
CID 61373850
3-propan-2-yl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclobutan-1-amine
CID 103561785
N-[[2-(1-phenylethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62291950
2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]cyclopentan-1-ol
CID 61374613
3-N-[(2-methoxy-3-pyridinyl)methyl]cyclopentane-1,3-diamine
CID 79462015
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
5-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thiolan-3-amine
CID 79950310
2,2-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopentan-1-amine
CID 79860528
5,5-dimethyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]thian-3-amine
CID 79958638
N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine
CID 54926984
1-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)methylamino]pyrrolidine-2,5-dione
CID 61375350

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine (CID 79741488) is 4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine is CC(C)Oc1ncccc1CNC1CCC(N)CC1.
What is the InChIKey of 4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine?
The InChIKey is KZLFGLKTHGOHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)19-15-12(4-3-9-17-15)10-18-14-7-5-13(16)6-8-14/h3-4,9,11,13-14,18H,5-8,10,16H2,1-2H3.
What are the key properties of 4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine?
4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine has a molecular weight of 263.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79741488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).