1-amino-2-methyl-4-[methyl-(4-methylcyclohexyl)amino]pentan-2-ol

C14H30N2O — CID 64819349

IUPAC1-amino-2-methyl-4-[methyl-(4-methylcyclohexyl)amino]pentan-2-ol
SMILESCC1CCC(N(C)C(C)CC(C)(O)CN)CC1
InChIInChI=1S/C14H30N2O/c1-11-5-7-13(8-6-11)16(4)12(2)9-14(3,17)10-15/h11-13,17H,5-10,15H2,1-4H3
InChIKeyTZVZVMIOAFPIBY-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.99
Rot. Bonds5

About 1-amino-2-methyl-4-[methyl-(4-methylcyclohexyl)amino]pentan-2-ol

1-amino-2-methyl-4-[methyl-(4-methylcyclohexyl)amino]pentan-2-ol (PubChem CID 64819349) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-amino-2-methyl-4-[methyl-(4-methylcyclohexyl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-4-[methyl-(4-methylcyclohexyl)amino]pentan-2-ol
PubChem CID64819349
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-amino-2-methyl-4-[methyl-(4-methylcyclohexyl)amino]pentan-2-ol
SMILESCC1CCC(N(C)C(C)CC(C)(O)CN)CC1
InChIInChI=1S/C14H30N2O/c1-11-5-7-13(8-6-11)16(4)12(2)9-14(3,17)10-15/h11-13,17H,5-10,15H2,1-4H3
InChIKeyTZVZVMIOAFPIBY-UHFFFAOYSA-N
XLogP1.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-4-[methyl-(4-methylcyclohexyl)amino]pentan-2-ol?
The IUPAC name of 1-amino-2-methyl-4-[methyl-(4-methylcyclohexyl)amino]pentan-2-ol (CID 64819349) is 1-amino-2-methyl-4-[methyl-(4-methylcyclohexyl)amino]pentan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-4-[methyl-(4-methylcyclohexyl)amino]pentan-2-ol?
The canonical SMILES for 1-amino-2-methyl-4-[methyl-(4-methylcyclohexyl)amino]pentan-2-ol is CC1CCC(N(C)C(C)CC(C)(O)CN)CC1.
What is the InChIKey of 1-amino-2-methyl-4-[methyl-(4-methylcyclohexyl)amino]pentan-2-ol?
The InChIKey is TZVZVMIOAFPIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-11-5-7-13(8-6-11)16(4)12(2)9-14(3,17)10-15/h11-13,17H,5-10,15H2,1-4H3.
What are the key properties of 1-amino-2-methyl-4-[methyl-(4-methylcyclohexyl)amino]pentan-2-ol?
1-amino-2-methyl-4-[methyl-(4-methylcyclohexyl)amino]pentan-2-ol has a molecular weight of 242.41 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-4-[methyl-(4-methylcyclohexyl)amino]pentan-2-ol is sourced from PubChem (CID 64819349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).