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

C22H45NO — CID 158616125

IUPACN-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane
SMILESCCCNC1CCCCC1.CCCOC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C13H26O.C9H19N/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
InChIKeyHXKHSCNNJHPUKH-UHFFFAOYSA-N
MW339.61 g/mol
LogP6.34
Rot. Bonds6

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

N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane (PubChem CID 158616125) has the molecular formula C22H45NO and a molecular weight of 339.61 g/mol. Its IUPAC name is N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane.

Molecular Properties

Compound NameN-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane
PubChem CID158616125
Molecular FormulaC22H45NO
Molecular Weight339.61 g/mol
Exact Mass339.35
IUPAC NameN-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane
SMILESCCCNC1CCCCC1.CCCOC1CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C13H26O.C9H19N/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
InChIKeyHXKHSCNNJHPUKH-UHFFFAOYSA-N
XLogP6.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.61
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 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 N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane?
The IUPAC name of N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane (CID 158616125) is N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane.
What is the SMILES notation for N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane?
The canonical SMILES for N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane is CCCNC1CCCCC1.CCCOC1CC(C)(C)CC(C)(C)C1.
What is the InChIKey of N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane?
The InChIKey is HXKHSCNNJHPUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O.C9H19N/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.
What are the key properties of N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane?
N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane has a molecular weight of 339.61 g/mol, XLogP of 6.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylcyclohexanamine;1,1,3,3-tetramethyl-5-propoxycyclohexane is sourced from PubChem (CID 158616125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).