3-N-(4-tert-butylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine

C17H29N3 — CID 43678526

IUPAC3-N-(4-tert-butylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCN(C)c1ccncc1NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H29N3/c1-17(2,3)13-6-8-14(9-7-13)19-15-12-18-11-10-16(15)20(4)5/h10-14,19H,6-9H2,1-5H3
InChIKeyNRHFOCPZVHHXKX-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.16
Rot. Bonds3

About 3-N-(4-tert-butylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine

3-N-(4-tert-butylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine (PubChem CID 43678526) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 3-N-(4-tert-butylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-(4-tert-butylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine
PubChem CID43678526
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name3-N-(4-tert-butylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCN(C)c1ccncc1NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H29N3/c1-17(2,3)13-6-8-14(9-7-13)19-15-12-18-11-10-16(15)20(4)5/h10-14,19H,6-9H2,1-5H3
InChIKeyNRHFOCPZVHHXKX-UHFFFAOYSA-N
XLogP4.16
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-(4-tert-butylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine?
The IUPAC name of 3-N-(4-tert-butylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine (CID 43678526) is 3-N-(4-tert-butylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-(4-tert-butylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine?
The canonical SMILES for 3-N-(4-tert-butylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine is CN(C)c1ccncc1NC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 3-N-(4-tert-butylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine?
The InChIKey is NRHFOCPZVHHXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-17(2,3)13-6-8-14(9-7-13)19-15-12-18-11-10-16(15)20(4)5/h10-14,19H,6-9H2,1-5H3.
What are the key properties of 3-N-(4-tert-butylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine?
3-N-(4-tert-butylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine has a molecular weight of 275.44 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-tert-butylcyclohexyl)-4-N,4-N-dimethylpyridine-3,4-diamine is sourced from PubChem (CID 43678526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).