N-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine

C14H23N3 — CID 82932188

IUPACN-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine
SMILESCCNC(c1ncccn1)C1CCCCCC1
InChIInChI=1S/C14H23N3/c1-2-15-13(14-16-10-7-11-17-14)12-8-5-3-4-6-9-12/h7,10-13,15H,2-6,8-9H2,1H3
InChIKeyIDBZWXPOCMMVBL-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.10
Rot. Bonds4

About N-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine

N-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine (PubChem CID 82932188) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine
PubChem CID82932188
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine
SMILESCCNC(c1ncccn1)C1CCCCCC1
InChIInChI=1S/C14H23N3/c1-2-15-13(14-16-10-7-11-17-14)12-8-5-3-4-6-9-12/h7,10-13,15H,2-6,8-9H2,1H3
InChIKeyIDBZWXPOCMMVBL-UHFFFAOYSA-N
XLogP3.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[oxolan-3-yl(pyrimidin-2-yl)methyl]ethanamine
CID 63565130
N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine
CID 80603968
N-[cyclopropyl-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 105157241
N-[cyclohexyl-(3,6-dimethylpyridazin-4-yl)methyl]ethanamine
CID 105079539
N-[cyclohexyl-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105080054
1-cyclohexyl-N-ethyl-2-pyridin-2-ylpropan-1-amine
CID 66447813
N-[(4-cyclobutylphenyl)-cyclohexylmethyl]ethanamine
CID 116505979
N-[cyclopentyl(naphthalen-1-yl)methyl]ethanamine
CID 55187374
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724
N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 64712638
N-[cyclohexyl-(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 102811928
N-[(3-bromo-2-fluorophenyl)-cycloheptylmethyl]ethanamine
CID 106645693

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine?
The IUPAC name of N-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine (CID 82932188) is N-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine is CCNC(c1ncccn1)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine?
The InChIKey is IDBZWXPOCMMVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-15-13(14-16-10-7-11-17-14)12-8-5-3-4-6-9-12/h7,10-13,15H,2-6,8-9H2,1H3.
What are the key properties of N-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine?
N-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine has a molecular weight of 233.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl(pyrimidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 82932188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).