methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane

C24H53NO — CID 160611677

IUPACmethane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane
SMILESC.C.CCCNC1CCCCC1.CCCOC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C13H26O.C9H19N.2CH4/c1-6-7-14-11-8-12(2,3)10-13(4,5)9-11;1-2-8-10-9-6-4-3-5-7-9;;/h11H,6-10H2,1-5H3;9-10H,2-8H2,1H3;2*1H4
InChIKeyRFOLQDYFRQBZMB-UHFFFAOYSA-N
MW371.69 g/mol
LogP7.61
Rot. Bonds6

About methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane

methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane (PubChem CID 160611677) has the molecular formula C24H53NO and a molecular weight of 371.69 g/mol. Its IUPAC name is methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane.

Molecular Properties

Compound Namemethane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane
PubChem CID160611677
Molecular FormulaC24H53NO
Molecular Weight371.69 g/mol
Exact Mass371.41
IUPAC Namemethane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane
SMILESC.C.CCCNC1CCCCC1.CCCOC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C13H26O.C9H19N.2CH4/c1-6-7-14-11-8-12(2,3)10-13(4,5)9-11;1-2-8-10-9-6-4-3-5-7-9;;/h11H,6-10H2,1-5H3;9-10H,2-8H2,1H3;2*1H4
InChIKeyRFOLQDYFRQBZMB-UHFFFAOYSA-N
XLogP7.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.69
LogP ≤ 57.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane?
The IUPAC name of methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane (CID 160611677) is methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane.
What is the SMILES notation for methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane?
The canonical SMILES for methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane is C.C.CCCNC1CCCCC1.CCCOC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane?
The InChIKey is RFOLQDYFRQBZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O.C9H19N.2CH4/c1-6-7-14-11-8-12(2,3)10-13(4,5)9-11;1-2-8-10-9-6-4-3-5-7-9;;/h11H,6-10H2,1-5H3;9-10H,2-8H2,1H3;2*1H4.
What are the key properties of methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane?
methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane has a molecular weight of 371.69 g/mol, XLogP of 7.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane is sourced from PubChem (CID 160611677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).