(6-amino-2-pyridinyl)methyl N-[1-(diethylamino)-3-methylbutan-2-yl]carbamate

C16H28N4O2 — CID 23109071

IUPAC(6-amino-2-pyridinyl)methyl N-[1-(diethylamino)-3-methylbutan-2-yl]carbamate
SMILESCCN(CC)CC(NC(=O)OCc1cccc(N)n1)C(C)C
InChIInChI=1S/C16H28N4O2/c1-5-20(6-2)10-14(12(3)4)19-16(21)22-11-13-8-7-9-15(17)18-13/h7-9,12,14H,5-6,10-11H2,1-4H3,(H2,17,18)(H,19,21)
InChIKeyCHXAUFCYZUMCFY-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.26
Rot. Bonds8

About (6-amino-2-pyridinyl)methyl N-[1-(diethylamino)-3-methylbutan-2-yl]carbamate

(6-amino-2-pyridinyl)methyl N-[1-(diethylamino)-3-methylbutan-2-yl]carbamate (PubChem CID 23109071) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is (6-amino-2-pyridinyl)methyl N-[1-(diethylamino)-3-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Name(6-amino-2-pyridinyl)methyl N-[1-(diethylamino)-3-methylbutan-2-yl]carbamate
PubChem CID23109071
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name(6-amino-2-pyridinyl)methyl N-[1-(diethylamino)-3-methylbutan-2-yl]carbamate
SMILESCCN(CC)CC(NC(=O)OCc1cccc(N)n1)C(C)C
InChIInChI=1S/C16H28N4O2/c1-5-20(6-2)10-14(12(3)4)19-16(21)22-11-13-8-7-9-15(17)18-13/h7-9,12,14H,5-6,10-11H2,1-4H3,(H2,17,18)(H,19,21)
InChIKeyCHXAUFCYZUMCFY-UHFFFAOYSA-N
XLogP2.26
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-amino-2-pyridinyl)methyl N-[1-(diethylamino)-3-methylbutan-2-yl]carbamate?
The IUPAC name of (6-amino-2-pyridinyl)methyl N-[1-(diethylamino)-3-methylbutan-2-yl]carbamate (CID 23109071) is (6-amino-2-pyridinyl)methyl N-[1-(diethylamino)-3-methylbutan-2-yl]carbamate.
What is the SMILES notation for (6-amino-2-pyridinyl)methyl N-[1-(diethylamino)-3-methylbutan-2-yl]carbamate?
The canonical SMILES for (6-amino-2-pyridinyl)methyl N-[1-(diethylamino)-3-methylbutan-2-yl]carbamate is CCN(CC)CC(NC(=O)OCc1cccc(N)n1)C(C)C.
What is the InChIKey of (6-amino-2-pyridinyl)methyl N-[1-(diethylamino)-3-methylbutan-2-yl]carbamate?
The InChIKey is CHXAUFCYZUMCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-5-20(6-2)10-14(12(3)4)19-16(21)22-11-13-8-7-9-15(17)18-13/h7-9,12,14H,5-6,10-11H2,1-4H3,(H2,17,18)(H,19,21).
What are the key properties of (6-amino-2-pyridinyl)methyl N-[1-(diethylamino)-3-methylbutan-2-yl]carbamate?
(6-amino-2-pyridinyl)methyl N-[1-(diethylamino)-3-methylbutan-2-yl]carbamate has a molecular weight of 308.43 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-pyridinyl)methyl N-[1-(diethylamino)-3-methylbutan-2-yl]carbamate is sourced from PubChem (CID 23109071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).