1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine

C14H23N3 — CID 81030852

IUPAC1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1c1cncnc1
InChIInChI=1S/C14H23N3/c1-14(2)5-4-11(7-15-3)13(6-14)12-8-16-10-17-9-12/h8-11,13,15H,4-7H2,1-3H3
InChIKeyBRMDMFSAUMHVSH-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.61
Rot. Bonds3

About 1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine

1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine (PubChem CID 81030852) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine
PubChem CID81030852
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine
SMILESCNCC1CCC(C)(C)CC1c1cncnc1
InChIInChI=1S/C14H23N3/c1-14(2)5-4-11(7-15-3)13(6-14)12-8-16-10-17-9-12/h8-11,13,15H,4-7H2,1-3H3
InChIKeyBRMDMFSAUMHVSH-UHFFFAOYSA-N
XLogP2.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine (CID 81030852) is 1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine is CNCC1CCC(C)(C)CC1c1cncnc1.
What is the InChIKey of 1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine?
The InChIKey is BRMDMFSAUMHVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-14(2)5-4-11(7-15-3)13(6-14)12-8-16-10-17-9-12/h8-11,13,15H,4-7H2,1-3H3.
What are the key properties of 1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine?
1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine has a molecular weight of 233.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-2-pyrimidin-5-ylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 81030852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).