2-[2-(1-ethoxycycloheptyl)pyrimidin-5-yl]ethanamine

C15H25N3O — CID 116779217

IUPAC2-[2-(1-ethoxycycloheptyl)pyrimidin-5-yl]ethanamine
SMILESCCOC1(c2ncc(CCN)cn2)CCCCCC1
InChIInChI=1S/C15H25N3O/c1-2-19-15(8-5-3-4-6-9-15)14-17-11-13(7-10-16)12-18-14/h11-12H,2-10,16H2,1H3
InChIKeyNLGXUSQYYDYAFK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.56
Rot. Bonds5

About 2-[2-(1-ethoxycycloheptyl)pyrimidin-5-yl]ethanamine

2-[2-(1-ethoxycycloheptyl)pyrimidin-5-yl]ethanamine (PubChem CID 116779217) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[2-(1-ethoxycycloheptyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(1-ethoxycycloheptyl)pyrimidin-5-yl]ethanamine
PubChem CID116779217
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[2-(1-ethoxycycloheptyl)pyrimidin-5-yl]ethanamine
SMILESCCOC1(c2ncc(CCN)cn2)CCCCCC1
InChIInChI=1S/C15H25N3O/c1-2-19-15(8-5-3-4-6-9-15)14-17-11-13(7-10-16)12-18-14/h11-12H,2-10,16H2,1H3
InChIKeyNLGXUSQYYDYAFK-UHFFFAOYSA-N
XLogP2.56
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-ethoxy-3-methylcyclohexyl)pyrimidin-5-yl]ethanamine
CID 116779223
4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine
CID 116746306
ethyl 4-amino-2-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate
CID 116782888
1-[2-(4-ethoxyoxan-4-yl)pyrimidin-5-yl]propan-2-amine
CID 116779233
2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine
CID 114207193
2-(1-ethoxycycloheptyl)-4-ethylpyrimidine-5-carboxylic acid
CID 116775102
2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116775313
2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 116779321
2-[2-(1-phenylcyclopentyl)pyrimidin-5-yl]ethanamine
CID 63079037
2-(1-ethoxycyclopentyl)pyrimidin-4-amine
CID 116775700
2-(1-ethoxycycloheptyl)-5-iodo-6-propylpyrimidin-4-amine
CID 116776648
N-[[2-(1-ethoxy-4-methylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 116778805

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-ethoxycycloheptyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[2-(1-ethoxycycloheptyl)pyrimidin-5-yl]ethanamine (CID 116779217) is 2-[2-(1-ethoxycycloheptyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(1-ethoxycycloheptyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[2-(1-ethoxycycloheptyl)pyrimidin-5-yl]ethanamine is CCOC1(c2ncc(CCN)cn2)CCCCCC1.
What is the InChIKey of 2-[2-(1-ethoxycycloheptyl)pyrimidin-5-yl]ethanamine?
The InChIKey is NLGXUSQYYDYAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-19-15(8-5-3-4-6-9-15)14-17-11-13(7-10-16)12-18-14/h11-12H,2-10,16H2,1H3.
What are the key properties of 2-[2-(1-ethoxycycloheptyl)pyrimidin-5-yl]ethanamine?
2-[2-(1-ethoxycycloheptyl)pyrimidin-5-yl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-ethoxycycloheptyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 116779217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).