(1-pyrimidin-4-ylcyclohexyl)methanamine

C11H17N3 — CID 82604335

IUPAC(1-pyrimidin-4-ylcyclohexyl)methanamine
SMILESNCC1(c2ccncn2)CCCCC1
InChIInChI=1S/C11H17N3/c12-8-11(5-2-1-3-6-11)10-4-7-13-9-14-10/h4,7,9H,1-3,5-6,8,12H2
InChIKeyRLHPCIMJXDJVPG-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.64
Rot. Bonds2

About (1-pyrimidin-4-ylcyclohexyl)methanamine

(1-pyrimidin-4-ylcyclohexyl)methanamine (PubChem CID 82604335) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (1-pyrimidin-4-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(1-pyrimidin-4-ylcyclohexyl)methanamine
PubChem CID82604335
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(1-pyrimidin-4-ylcyclohexyl)methanamine
SMILESNCC1(c2ccncn2)CCCCC1
InChIInChI=1S/C11H17N3/c12-8-11(5-2-1-3-6-11)10-4-7-13-9-14-10/h4,7,9H,1-3,5-6,8,12H2
InChIKeyRLHPCIMJXDJVPG-UHFFFAOYSA-N
XLogP1.64
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-pyrimidin-4-ylcyclohexyl)methanamine?
The IUPAC name of (1-pyrimidin-4-ylcyclohexyl)methanamine (CID 82604335) is (1-pyrimidin-4-ylcyclohexyl)methanamine.
What is the SMILES notation for (1-pyrimidin-4-ylcyclohexyl)methanamine?
The canonical SMILES for (1-pyrimidin-4-ylcyclohexyl)methanamine is NCC1(c2ccncn2)CCCCC1.
What is the InChIKey of (1-pyrimidin-4-ylcyclohexyl)methanamine?
The InChIKey is RLHPCIMJXDJVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c12-8-11(5-2-1-3-6-11)10-4-7-13-9-14-10/h4,7,9H,1-3,5-6,8,12H2.
What are the key properties of (1-pyrimidin-4-ylcyclohexyl)methanamine?
(1-pyrimidin-4-ylcyclohexyl)methanamine has a molecular weight of 191.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyrimidin-4-ylcyclohexyl)methanamine is sourced from PubChem (CID 82604335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).