(R)-cyclohexyl-(1-ethynylcyclopropyl)methanamine;molecular hydrogen

C12H21N — CID 145259300

IUPAC(R)-cyclohexyl-(1-ethynylcyclopropyl)methanamine;molecular hydrogen
SMILESC#CC1([C@H](N)C2CCCCC2)CC1.[H][H]
InChIInChI=1S/C12H19N.H2/c1-2-12(8-9-12)11(13)10-6-4-3-5-7-10;/h1,10-11H,3-9,13H2;1H/t11-;/m1./s1
InChIKeyVLLGUALIZRXFDA-RFVHGSKJSA-N
MW179.31 g/mol
LogP2.55
Rot. Bonds2

About (R)-cyclohexyl-(1-ethynylcyclopropyl)methanamine;molecular hydrogen

(R)-cyclohexyl-(1-ethynylcyclopropyl)methanamine;molecular hydrogen (PubChem CID 145259300) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (R)-cyclohexyl-(1-ethynylcyclopropyl)methanamine;molecular hydrogen.

Molecular Properties

Compound Name(R)-cyclohexyl-(1-ethynylcyclopropyl)methanamine;molecular hydrogen
PubChem CID145259300
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(R)-cyclohexyl-(1-ethynylcyclopropyl)methanamine;molecular hydrogen
SMILESC#CC1([C@H](N)C2CCCCC2)CC1.[H][H]
InChIInChI=1S/C12H19N.H2/c1-2-12(8-9-12)11(13)10-6-4-3-5-7-10;/h1,10-11H,3-9,13H2;1H/t11-;/m1./s1
InChIKeyVLLGUALIZRXFDA-RFVHGSKJSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (R)-cyclohexyl-(1-ethynylcyclopropyl)methanamine;molecular hydrogen?
The IUPAC name of (R)-cyclohexyl-(1-ethynylcyclopropyl)methanamine;molecular hydrogen (CID 145259300) is (R)-cyclohexyl-(1-ethynylcyclopropyl)methanamine;molecular hydrogen.
What is the SMILES notation for (R)-cyclohexyl-(1-ethynylcyclopropyl)methanamine;molecular hydrogen?
The canonical SMILES for (R)-cyclohexyl-(1-ethynylcyclopropyl)methanamine;molecular hydrogen is C#CC1([C@H](N)C2CCCCC2)CC1.[H][H].
What is the InChIKey of (R)-cyclohexyl-(1-ethynylcyclopropyl)methanamine;molecular hydrogen?
The InChIKey is VLLGUALIZRXFDA-RFVHGSKJSA-N. The full InChI is InChI=1S/C12H19N.H2/c1-2-12(8-9-12)11(13)10-6-4-3-5-7-10;/h1,10-11H,3-9,13H2;1H/t11-;/m1./s1.
What are the key properties of (R)-cyclohexyl-(1-ethynylcyclopropyl)methanamine;molecular hydrogen?
(R)-cyclohexyl-(1-ethynylcyclopropyl)methanamine;molecular hydrogen has a molecular weight of 179.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclohexyl-(1-ethynylcyclopropyl)methanamine;molecular hydrogen is sourced from PubChem (CID 145259300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).