1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-pyridin-2-ylurea

C16H28N4O — CID 12857643

IUPAC1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-pyridin-2-ylurea
SMILESCC(C)N(CCN(C(=O)N(C)C)c1ccccn1)C(C)C
InChIInChI=1S/C16H28N4O/c1-13(2)19(14(3)4)11-12-20(16(21)18(5)6)15-9-7-8-10-17-15/h7-10,13-14H,11-12H2,1-6H3
InChIKeyJZIJHLJINQREJB-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.69
Rot. Bonds6

About 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-pyridin-2-ylurea

1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-pyridin-2-ylurea (PubChem CID 12857643) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-pyridin-2-ylurea
PubChem CID12857643
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-pyridin-2-ylurea
SMILESCC(C)N(CCN(C(=O)N(C)C)c1ccccn1)C(C)C
InChIInChI=1S/C16H28N4O/c1-13(2)19(14(3)4)11-12-20(16(21)18(5)6)15-9-7-8-10-17-15/h7-10,13-14H,11-12H2,1-6H3
InChIKeyJZIJHLJINQREJB-UHFFFAOYSA-N
XLogP2.69
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-pyridin-2-ylurea?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-pyridin-2-ylurea (CID 12857643) is 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-pyridin-2-ylurea.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-pyridin-2-ylurea?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-pyridin-2-ylurea is CC(C)N(CCN(C(=O)N(C)C)c1ccccn1)C(C)C.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-pyridin-2-ylurea?
The InChIKey is JZIJHLJINQREJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13(2)19(14(3)4)11-12-20(16(21)18(5)6)15-9-7-8-10-17-15/h7-10,13-14H,11-12H2,1-6H3.
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-pyridin-2-ylurea?
1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-pyridin-2-ylurea has a molecular weight of 292.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-pyridin-2-ylurea is sourced from PubChem (CID 12857643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).