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

C13H21N3 — CID 79740955

IUPAC4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
SMILESCc1cccnc1CNC1CCC(N)CC1
InChIInChI=1S/C13H21N3/c1-10-3-2-8-15-13(10)9-16-12-6-4-11(14)5-7-12/h2-3,8,11-12,16H,4-7,9,14H2,1H3
InChIKeyFDDQOJIREOVHHP-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.75
Rot. Bonds3

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

4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine (PubChem CID 79740955) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
PubChem CID79740955
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine
SMILESCc1cccnc1CNC1CCC(N)CC1
InChIInChI=1S/C13H21N3/c1-10-3-2-8-15-13(10)9-16-12-6-4-11(14)5-7-12/h2-3,8,11-12,16H,4-7,9,14H2,1H3
InChIKeyFDDQOJIREOVHHP-UHFFFAOYSA-N
XLogP1.75
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-2-pyridinyl)methyl]cyclobutanamine
CID 63305574
N-[(3-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
CID 103782068
N-[(3-methyl-2-pyridinyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63306014
2-[(3-methyl-2-pyridinyl)methylamino]cyclohexan-1-ol
CID 63306112
trans-(1R,2R)-2-[(3-methyl-2-pyridinyl)methylamino]cyclopentan-1-ol
CID 102733463
3-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentane-1,3-diamine
CID 82733670
tert-butyl N-[4-[(3-methyl-2-pyridinyl)methylamino]cyclohexyl]carbamate
CID 58997040
1-(3-methylbut-2-enyl)-N-[(3-methyl-2-pyridinyl)methyl]piperidin-4-amine
CID 63306097
tert-butyl 4-[(3-methyl-2-pyridinyl)methylamino]piperidine-1-carboxylate
CID 67272176
3-[(3-methyl-2-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 112650858
3-(4-fluorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 63305958
2-methyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 115338606

Frequently Asked Questions

What is the IUPAC name of 4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine (CID 79740955) is 4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine is Cc1cccnc1CNC1CCC(N)CC1.
What is the InChIKey of 4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine?
The InChIKey is FDDQOJIREOVHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-3-2-8-15-13(10)9-16-12-6-4-11(14)5-7-12/h2-3,8,11-12,16H,4-7,9,14H2,1H3.
What are the key properties of 4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine?
4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine has a molecular weight of 219.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3-methyl-2-pyridinyl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79740955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).