N,N-dimethyl-4-[2-methyl-4-(oxan-4-yl)pentan-2-yl]cyclohexan-1-amine

C19H37NO — CID 130207486

IUPACN,N-dimethyl-4-[2-methyl-4-(oxan-4-yl)pentan-2-yl]cyclohexan-1-amine
SMILESCC(CC(C)(C)C1CCC(N(C)C)CC1)C1CCOCC1
InChIInChI=1S/C19H37NO/c1-15(16-10-12-21-13-11-16)14-19(2,3)17-6-8-18(9-7-17)20(4)5/h15-18H,6-14H2,1-5H3
InChIKeyDAYSJBSBJZONAM-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.59
Rot. Bonds5

About N,N-dimethyl-4-[2-methyl-4-(oxan-4-yl)pentan-2-yl]cyclohexan-1-amine

N,N-dimethyl-4-[2-methyl-4-(oxan-4-yl)pentan-2-yl]cyclohexan-1-amine (PubChem CID 130207486) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-methyl-4-(oxan-4-yl)pentan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-methyl-4-(oxan-4-yl)pentan-2-yl]cyclohexan-1-amine
PubChem CID130207486
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC NameN,N-dimethyl-4-[2-methyl-4-(oxan-4-yl)pentan-2-yl]cyclohexan-1-amine
SMILESCC(CC(C)(C)C1CCC(N(C)C)CC1)C1CCOCC1
InChIInChI=1S/C19H37NO/c1-15(16-10-12-21-13-11-16)14-19(2,3)17-6-8-18(9-7-17)20(4)5/h15-18H,6-14H2,1-5H3
InChIKeyDAYSJBSBJZONAM-UHFFFAOYSA-N
XLogP4.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-methyl-4-(oxan-4-yl)pentan-2-yl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-4-[2-methyl-4-(oxan-4-yl)pentan-2-yl]cyclohexan-1-amine (CID 130207486) is N,N-dimethyl-4-[2-methyl-4-(oxan-4-yl)pentan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-[2-methyl-4-(oxan-4-yl)pentan-2-yl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-4-[2-methyl-4-(oxan-4-yl)pentan-2-yl]cyclohexan-1-amine is CC(CC(C)(C)C1CCC(N(C)C)CC1)C1CCOCC1.
What is the InChIKey of N,N-dimethyl-4-[2-methyl-4-(oxan-4-yl)pentan-2-yl]cyclohexan-1-amine?
The InChIKey is DAYSJBSBJZONAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-15(16-10-12-21-13-11-16)14-19(2,3)17-6-8-18(9-7-17)20(4)5/h15-18H,6-14H2,1-5H3.
What are the key properties of N,N-dimethyl-4-[2-methyl-4-(oxan-4-yl)pentan-2-yl]cyclohexan-1-amine?
N,N-dimethyl-4-[2-methyl-4-(oxan-4-yl)pentan-2-yl]cyclohexan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-methyl-4-(oxan-4-yl)pentan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 130207486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).