2-N-tert-butyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine

C17H30N4 — CID 115498520

IUPAC2-N-tert-butyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine
SMILESCCN1CCCC1CN(C)c1cccc(NC(C)(C)C)n1
InChIInChI=1S/C17H30N4/c1-6-21-12-8-9-14(21)13-20(5)16-11-7-10-15(18-16)19-17(2,3)4/h7,10-11,14H,6,8-9,12-13H2,1-5H3,(H,18,19)
InChIKeyNMBWWYCPMKYZNF-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.21
Rot. Bonds5

About 2-N-tert-butyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine

2-N-tert-butyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine (PubChem CID 115498520) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-N-tert-butyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine
PubChem CID115498520
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC Name2-N-tert-butyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine
SMILESCCN1CCCC1CN(C)c1cccc(NC(C)(C)C)n1
InChIInChI=1S/C17H30N4/c1-6-21-12-8-9-14(21)13-20(5)16-11-7-10-15(18-16)19-17(2,3)4/h7,10-11,14H,6,8-9,12-13H2,1-5H3,(H,18,19)
InChIKeyNMBWWYCPMKYZNF-UHFFFAOYSA-N
XLogP3.21
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine
CID 80651922
[6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]methanol
CID 79319929
6-N-ethyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80848598
2-cyclopropyl-4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80959228
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-N,6-N-dimethylpyrimidine-2,4,6-triamine
CID 80849077
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 79315343
5-(ethylaminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrazin-2-amine
CID 107380506
1-(1-ethylpyrrolidin-2-yl)-N-methyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]methanamine
CID 106906839
2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-6-propoxypyridine-2,5-diamine
CID 79303922
6-chloro-2-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methylpyridine-2,4-diamine
CID 104924609
6-[(cyclopropylamino)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyridazin-3-amine
CID 79311011
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-4-[1-(methylamino)ethyl]aniline
CID 79313774

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine?
The IUPAC name of 2-N-tert-butyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine (CID 115498520) is 2-N-tert-butyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine?
The canonical SMILES for 2-N-tert-butyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine is CCN1CCCC1CN(C)c1cccc(NC(C)(C)C)n1.
What is the InChIKey of 2-N-tert-butyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine?
The InChIKey is NMBWWYCPMKYZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-6-21-12-8-9-14(21)13-20(5)16-11-7-10-15(18-16)19-17(2,3)4/h7,10-11,14H,6,8-9,12-13H2,1-5H3,(H,18,19).
What are the key properties of 2-N-tert-butyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine?
2-N-tert-butyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine has a molecular weight of 290.45 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 115498520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).