ethane;N-methyl-N-propan-2-ylcyclohexanamine;propane

C15H35N — CID 142239228

IUPACethane;N-methyl-N-propan-2-ylcyclohexanamine;propane
SMILESCC.CC(C)N(C)C1CCCCC1.CCC
InChIInChI=1S/C10H21N.C3H8.C2H6/c1-9(2)11(3)10-7-5-4-6-8-10;1-3-2;1-2/h9-10H,4-8H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyMOTZHIJIPXPBGD-UHFFFAOYSA-N
MW229.45 g/mol
LogP5.10
Rot. Bonds2

About ethane;N-methyl-N-propan-2-ylcyclohexanamine;propane

ethane;N-methyl-N-propan-2-ylcyclohexanamine;propane (PubChem CID 142239228) has the molecular formula C15H35N and a molecular weight of 229.45 g/mol. Its IUPAC name is ethane;N-methyl-N-propan-2-ylcyclohexanamine;propane.

Molecular Properties

Compound Nameethane;N-methyl-N-propan-2-ylcyclohexanamine;propane
PubChem CID142239228
Molecular FormulaC15H35N
Molecular Weight229.45 g/mol
Exact Mass229.28
IUPAC Nameethane;N-methyl-N-propan-2-ylcyclohexanamine;propane
SMILESCC.CC(C)N(C)C1CCCCC1.CCC
InChIInChI=1S/C10H21N.C3H8.C2H6/c1-9(2)11(3)10-7-5-4-6-8-10;1-3-2;1-2/h9-10H,4-8H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyMOTZHIJIPXPBGD-UHFFFAOYSA-N
XLogP5.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500229.45
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-N-propan-2-ylcyclohexanamine;propane?
The IUPAC name of ethane;N-methyl-N-propan-2-ylcyclohexanamine;propane (CID 142239228) is ethane;N-methyl-N-propan-2-ylcyclohexanamine;propane.
What is the SMILES notation for ethane;N-methyl-N-propan-2-ylcyclohexanamine;propane?
The canonical SMILES for ethane;N-methyl-N-propan-2-ylcyclohexanamine;propane is CC.CC(C)N(C)C1CCCCC1.CCC.
What is the InChIKey of ethane;N-methyl-N-propan-2-ylcyclohexanamine;propane?
The InChIKey is MOTZHIJIPXPBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C3H8.C2H6/c1-9(2)11(3)10-7-5-4-6-8-10;1-3-2;1-2/h9-10H,4-8H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-N-propan-2-ylcyclohexanamine;propane?
ethane;N-methyl-N-propan-2-ylcyclohexanamine;propane has a molecular weight of 229.45 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-N-propan-2-ylcyclohexanamine;propane is sourced from PubChem (CID 142239228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).