(2-pentoxy-4-propylcyclohexyl)methanamine

C15H31NO — CID 43294257

IUPAC(2-pentoxy-4-propylcyclohexyl)methanamine
SMILESCCCCCOC1CC(CCC)CCC1CN
InChIInChI=1S/C15H31NO/c1-3-5-6-10-17-15-11-13(7-4-2)8-9-14(15)12-16/h13-15H,3-12,16H2,1-2H3
InChIKeyLTSCPCQTHFLEGR-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.74
Rot. Bonds8

About (2-pentoxy-4-propylcyclohexyl)methanamine

(2-pentoxy-4-propylcyclohexyl)methanamine (PubChem CID 43294257) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is (2-pentoxy-4-propylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-pentoxy-4-propylcyclohexyl)methanamine
PubChem CID43294257
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name(2-pentoxy-4-propylcyclohexyl)methanamine
SMILESCCCCCOC1CC(CCC)CCC1CN
InChIInChI=1S/C15H31NO/c1-3-5-6-10-17-15-11-13(7-4-2)8-9-14(15)12-16/h13-15H,3-12,16H2,1-2H3
InChIKeyLTSCPCQTHFLEGR-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-pentoxy-4-propylcyclohexyl)methanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-ethyl-2-octoxy-4-propylcyclohexan-1-amine
CID 63474035
[2-(4-methylcyclohexyl)oxy-4-propylcyclohexyl]methanamine
CID 43428836
[2-butoxy-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
CID 43294253
2-(aminomethyl)-5-propylcyclohexan-1-amine
CID 62070306
2-butoxy-4-propylcyclohexane-1-carbonitrile
CID 43292944
4-pentoxycyclohexane-1,3-diamine
CID 139764970
[2-(3,5-dichlorophenoxy)-4-propylcyclohexyl]methanamine
CID 43621914
(2-butoxy-4-phenylcyclohexyl)methanamine
CID 43294246
[2-(2-methoxyphenoxy)-4-propylcyclohexyl]methanamine
CID 43293990
(2-propoxycyclopropyl)methanamine
CID 102729399
(4-propyl-2-propylsulfanylcyclohexyl)methanamine
CID 43530082
(3-propylcyclopentyl)methanamine
CID 83635339

Frequently Asked Questions

What is the IUPAC name of (2-pentoxy-4-propylcyclohexyl)methanamine?
The IUPAC name of (2-pentoxy-4-propylcyclohexyl)methanamine (CID 43294257) is (2-pentoxy-4-propylcyclohexyl)methanamine.
What is the SMILES notation for (2-pentoxy-4-propylcyclohexyl)methanamine?
The canonical SMILES for (2-pentoxy-4-propylcyclohexyl)methanamine is CCCCCOC1CC(CCC)CCC1CN.
What is the InChIKey of (2-pentoxy-4-propylcyclohexyl)methanamine?
The InChIKey is LTSCPCQTHFLEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-5-6-10-17-15-11-13(7-4-2)8-9-14(15)12-16/h13-15H,3-12,16H2,1-2H3.
What are the key properties of (2-pentoxy-4-propylcyclohexyl)methanamine?
(2-pentoxy-4-propylcyclohexyl)methanamine has a molecular weight of 241.42 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pentoxy-4-propylcyclohexyl)methanamine is sourced from PubChem (CID 43294257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).