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

C18H29N3 — CID 65399429

IUPACN-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine
SMILESCc1nc(C2CCCCCC2)nc(C)c1CCNC1CC1
InChIInChI=1S/C18H29N3/c1-13-17(11-12-19-16-9-10-16)14(2)21-18(20-13)15-7-5-3-4-6-8-15/h15-16,19H,3-12H2,1-2H3
InChIKeyITYNNGRMFVRGRV-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.83
Rot. Bonds5

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

N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine (PubChem CID 65399429) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine
PubChem CID65399429
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine
SMILESCc1nc(C2CCCCCC2)nc(C)c1CCNC1CC1
InChIInChI=1S/C18H29N3/c1-13-17(11-12-19-16-9-10-16)14(2)21-18(20-13)15-7-5-3-4-6-8-15/h15-16,19H,3-12H2,1-2H3
InChIKeyITYNNGRMFVRGRV-UHFFFAOYSA-N
XLogP3.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62745618
N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine
CID 65399366
N-[2-[4,6-dimethyl-2-(thiolan-2-yl)pyrimidin-5-yl]ethyl]cyclopropanamine
CID 80637259
N-[2-[2-(1,1-dioxothiolan-3-yl)-4,6-dimethylpyrimidin-5-yl]ethyl]cyclopropanamine
CID 115337427
2-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)ethanol
CID 115069783
N-[3-[4,6-dimethyl-2-(2-methylcyclopropyl)pyrimidin-5-yl]propyl]cyclopropanamine
CID 65420884
N-[2-(4,6-dimethyl-2-propylpyrimidin-5-yl)ethyl]cyclopropanamine
CID 62744769
3-(2-cyclobutyl-4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 64985851
N-[3-(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)propyl]cyclopropanamine
CID 62744044
N-[(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)methyl]ethanamine
CID 62745997
(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)methanamine
CID 62744554
3-(2-cyclopropyl-4,6-dimethylpyrimidin-5-yl)-N-methylpropan-1-amine
CID 55134669

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine (CID 65399429) is N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine is Cc1nc(C2CCCCCC2)nc(C)c1CCNC1CC1.
What is the InChIKey of N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine?
The InChIKey is ITYNNGRMFVRGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-13-17(11-12-19-16-9-10-16)14(2)21-18(20-13)15-7-5-3-4-6-8-15/h15-16,19H,3-12H2,1-2H3.
What are the key properties of N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine?
N-[2-(2-cycloheptyl-4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine has a molecular weight of 287.45 g/mol, XLogP of 3.83, 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]cyclopropanamine is sourced from PubChem (CID 65399429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).