6-N-cycloheptyl-6-N-methyl-2-N-propylpyridine-2,6-diamine

C16H27N3 — CID 80789572

IUPAC6-N-cycloheptyl-6-N-methyl-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(N(C)C2CCCCCC2)n1
InChIInChI=1S/C16H27N3/c1-3-13-17-15-11-8-12-16(18-15)19(2)14-9-6-4-5-7-10-14/h8,11-12,14H,3-7,9-10,13H2,1-2H3,(H,17,18)
InChIKeyUZPZJDRBOFJCKD-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.06
Rot. Bonds5

About 6-N-cycloheptyl-6-N-methyl-2-N-propylpyridine-2,6-diamine

6-N-cycloheptyl-6-N-methyl-2-N-propylpyridine-2,6-diamine (PubChem CID 80789572) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 6-N-cycloheptyl-6-N-methyl-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-cycloheptyl-6-N-methyl-2-N-propylpyridine-2,6-diamine
PubChem CID80789572
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name6-N-cycloheptyl-6-N-methyl-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(N(C)C2CCCCCC2)n1
InChIInChI=1S/C16H27N3/c1-3-13-17-15-11-8-12-16(18-15)19(2)14-9-6-4-5-7-10-14/h8,11-12,14H,3-7,9-10,13H2,1-2H3,(H,17,18)
InChIKeyUZPZJDRBOFJCKD-UHFFFAOYSA-N
XLogP4.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-cycloheptyl-2-N-ethyl-6-N-methylpyridine-2,6-diamine
CID 80790042
6-N-(1,1-dioxothiolan-3-yl)-6-N-methyl-2-N-propylpyridine-2,6-diamine
CID 80789903
N-cyclopentyl-N-methyl-6-(propylaminomethyl)pyridin-2-amine
CID 62278994
2-N-ethyl-6-N-(1-ethylpiperidin-4-yl)-6-N-methylpyridine-2,6-diamine
CID 80820475
6-N-cyclooctyl-2-N-propylpyridine-2,6-diamine
CID 80786169
6-N-(cyclopropylmethyl)-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 80838817
N-cyclohexyl-N,6-dimethylpyridin-2-amine
CID 133313190
6-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80839586
6-N-ethyl-6-N-phenyl-2-N-propylpyridine-2,6-diamine
CID 80755878
6-N-propan-2-yl-2-N,6-N-dipropylpyridine-2,6-diamine
CID 80775315
3-[[methyl-[6-(propylamino)-2-pyridinyl]amino]methyl]cyclobutan-1-ol
CID 80856494
N-cyclobutyl-N,6-dimethylpyridin-2-amine
CID 130668195

Frequently Asked Questions

What is the IUPAC name of 6-N-cycloheptyl-6-N-methyl-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-cycloheptyl-6-N-methyl-2-N-propylpyridine-2,6-diamine (CID 80789572) is 6-N-cycloheptyl-6-N-methyl-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-cycloheptyl-6-N-methyl-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-cycloheptyl-6-N-methyl-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(N(C)C2CCCCCC2)n1.
What is the InChIKey of 6-N-cycloheptyl-6-N-methyl-2-N-propylpyridine-2,6-diamine?
The InChIKey is UZPZJDRBOFJCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-13-17-15-11-8-12-16(18-15)19(2)14-9-6-4-5-7-10-14/h8,11-12,14H,3-7,9-10,13H2,1-2H3,(H,17,18).
What are the key properties of 6-N-cycloheptyl-6-N-methyl-2-N-propylpyridine-2,6-diamine?
6-N-cycloheptyl-6-N-methyl-2-N-propylpyridine-2,6-diamine has a molecular weight of 261.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cycloheptyl-6-N-methyl-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80789572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).