N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine

C18H31N3 — CID 65399366

IUPACN-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine
SMILESCc1nc(C2CCCCCC2)nc(C)c1CCNC(C)C
InChIInChI=1S/C18H31N3/c1-13(2)19-12-11-17-14(3)20-18(21-15(17)4)16-9-7-5-6-8-10-16/h13,16,19H,5-12H2,1-4H3
InChIKeyLGIWGWPVHAGQJO-UHFFFAOYSA-N
MW289.47 g/mol
LogP4.07
Rot. Bonds5

About N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine

N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine (PubChem CID 65399366) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine
PubChem CID65399366
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine
SMILESCc1nc(C2CCCCCC2)nc(C)c1CCNC(C)C
InChIInChI=1S/C18H31N3/c1-13(2)19-12-11-17-14(3)20-18(21-15(17)4)16-9-7-5-6-8-10-16/h13,16,19H,5-12H2,1-4H3
InChIKeyLGIWGWPVHAGQJO-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine (CID 65399366) is N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine is Cc1nc(C2CCCCCC2)nc(C)c1CCNC(C)C.
What is the InChIKey of N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine?
The InChIKey is LGIWGWPVHAGQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-13(2)19-12-11-17-14(3)20-18(21-15(17)4)16-9-7-5-6-8-10-16/h13,16,19H,5-12H2,1-4H3.
What are the key properties of N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine?
N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine has a molecular weight of 289.47 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 65399366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).