N-tert-butyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-amine

C15H26N4 — CID 115498164

IUPACN-tert-butyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-amine
SMILESCN1CCCN(c2cccc(NC(C)(C)C)n2)CC1
InChIInChI=1S/C15H26N4/c1-15(2,3)17-13-7-5-8-14(16-13)19-10-6-9-18(4)11-12-19/h5,7-8H,6,9-12H2,1-4H3,(H,16,17)
InChIKeyPTDPOXGBVMFSTD-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.43
Rot. Bonds2

About N-tert-butyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-amine

N-tert-butyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-amine (PubChem CID 115498164) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-tert-butyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-amine
PubChem CID115498164
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-tert-butyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-amine
SMILESCN1CCCN(c2cccc(NC(C)(C)C)n2)CC1
InChIInChI=1S/C15H26N4/c1-15(2,3)17-13-7-5-8-14(16-13)19-10-6-9-18(4)11-12-19/h5,7-8H,6,9-12H2,1-4H3,(H,16,17)
InChIKeyPTDPOXGBVMFSTD-UHFFFAOYSA-N
XLogP2.43
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-6-(4-propylpiperazin-1-yl)pyridin-2-amine
CID 115498157
N-tert-butyl-6-(4-methylsulfonylpiperazin-1-yl)pyridin-2-amine
CID 115498426
6-(4-methylpiperazin-1-yl)-N-propylpyridin-2-amine
CID 80766785
N-tert-butyl-6-(1-oxo-1,4-thiazinan-4-yl)pyridin-2-amine
CID 113323710
[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]methanamine
CID 62300509
N-tert-butyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridin-2-amine
CID 115498516
6-(azepan-1-yl)-N-ethylpyridin-2-amine
CID 80764538
1-methyl-4-pyridin-2-yl-1,4-diazepane
CID 11790022
[6-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]hydrazine
CID 80896715
N-tert-butyl-6-(3,3-dimethylmorpholin-4-yl)pyridin-2-amine
CID 115498350
1-[4-(6-hydrazinyl-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 80900082
N-tert-butyl-6-(3-methylpyrazol-1-yl)pyridin-2-amine
CID 115498576

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-amine?
The IUPAC name of N-tert-butyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-amine (CID 115498164) is N-tert-butyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-amine.
What is the SMILES notation for N-tert-butyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-amine?
The canonical SMILES for N-tert-butyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-amine is CN1CCCN(c2cccc(NC(C)(C)C)n2)CC1.
What is the InChIKey of N-tert-butyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-amine?
The InChIKey is PTDPOXGBVMFSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-15(2,3)17-13-7-5-8-14(16-13)19-10-6-9-18(4)11-12-19/h5,7-8H,6,9-12H2,1-4H3,(H,16,17).
What are the key properties of N-tert-butyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-amine?
N-tert-butyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-amine is sourced from PubChem (CID 115498164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).