4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine

C13H21N3 — CID 62758802

IUPAC4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine
SMILESCCC1CCC(NCc2cncnc2)CC1
InChIInChI=1S/C13H21N3/c1-2-11-3-5-13(6-4-11)16-9-12-7-14-10-15-8-12/h7-8,10-11,13,16H,2-6,9H2,1H3
InChIKeyWLBFMNWOUDANSA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.54
Rot. Bonds4

About 4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine

4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine (PubChem CID 62758802) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine
PubChem CID62758802
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine
SMILESCCC1CCC(NCc2cncnc2)CC1
InChIInChI=1S/C13H21N3/c1-2-11-3-5-13(6-4-11)16-9-12-7-14-10-15-8-12/h7-8,10-11,13,16H,2-6,9H2,1H3
InChIKeyWLBFMNWOUDANSA-UHFFFAOYSA-N
XLogP2.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylcyclohexyl)-N-(pyrimidin-5-ylmethyl)methanamine
CID 62761015
N-[[2-(4-ethylcyclohexyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 65391135
4-ethyl-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43078853
cis-(1R,3S)-3-(pyrimidin-5-ylmethylamino)cyclopentan-1-ol
CID 130735711
N-[(3,5-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63456354
cis-(1S,3S)-3-benzyl-N-(pyrimidin-5-ylmethyl)cyclopentan-1-amine
CID 99828152
4-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 782105
4-ethyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-amine
CID 63454429
1-ethyl-N-(pyrimidin-5-ylmethyl)piperidin-3-amine
CID 62759751
4-ethyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]cyclohexan-1-amine
CID 62742743
4-ethyl-N-(1,2-oxazol-3-ylmethyl)cyclohexan-1-amine
CID 79496315
4-ethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclohexan-1-amine
CID 103275539

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine (CID 62758802) is 4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine is CCC1CCC(NCc2cncnc2)CC1.
What is the InChIKey of 4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine?
The InChIKey is WLBFMNWOUDANSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-2-11-3-5-13(6-4-11)16-9-12-7-14-10-15-8-12/h7-8,10-11,13,16H,2-6,9H2,1H3.
What are the key properties of 4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine?
4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(pyrimidin-5-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 62758802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).