N-(4-methoxy-2-methylpentan-2-yl)-N-methyl-4-(3-methylpentan-3-yl)cyclohexan-1-amine

C20H41NO — CID 138514518

IUPACN-(4-methoxy-2-methylpentan-2-yl)-N-methyl-4-(3-methylpentan-3-yl)cyclohexan-1-amine
SMILESCCC(C)(CC)C1CCC(N(C)C(C)(C)CC(C)OC)CC1
InChIInChI=1S/C20H41NO/c1-9-20(6,10-2)17-11-13-18(14-12-17)21(7)19(4,5)15-16(3)22-8/h16-18H,9-15H2,1-8H3
InChIKeyUIZADOPBGKZRGL-UHFFFAOYSA-N
MW311.55 g/mol
LogP5.51
Rot. Bonds8

About N-(4-methoxy-2-methylpentan-2-yl)-N-methyl-4-(3-methylpentan-3-yl)cyclohexan-1-amine

N-(4-methoxy-2-methylpentan-2-yl)-N-methyl-4-(3-methylpentan-3-yl)cyclohexan-1-amine (PubChem CID 138514518) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is N-(4-methoxy-2-methylpentan-2-yl)-N-methyl-4-(3-methylpentan-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(4-methoxy-2-methylpentan-2-yl)-N-methyl-4-(3-methylpentan-3-yl)cyclohexan-1-amine
PubChem CID138514518
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC NameN-(4-methoxy-2-methylpentan-2-yl)-N-methyl-4-(3-methylpentan-3-yl)cyclohexan-1-amine
SMILESCCC(C)(CC)C1CCC(N(C)C(C)(C)CC(C)OC)CC1
InChIInChI=1S/C20H41NO/c1-9-20(6,10-2)17-11-13-18(14-12-17)21(7)19(4,5)15-16(3)22-8/h16-18H,9-15H2,1-8H3
InChIKeyUIZADOPBGKZRGL-UHFFFAOYSA-N
XLogP5.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylpentan-2-yl)-N-methyl-4-(3-methylpentan-3-yl)cyclohexan-1-amine?
The IUPAC name of N-(4-methoxy-2-methylpentan-2-yl)-N-methyl-4-(3-methylpentan-3-yl)cyclohexan-1-amine (CID 138514518) is N-(4-methoxy-2-methylpentan-2-yl)-N-methyl-4-(3-methylpentan-3-yl)cyclohexan-1-amine.
What is the SMILES notation for N-(4-methoxy-2-methylpentan-2-yl)-N-methyl-4-(3-methylpentan-3-yl)cyclohexan-1-amine?
The canonical SMILES for N-(4-methoxy-2-methylpentan-2-yl)-N-methyl-4-(3-methylpentan-3-yl)cyclohexan-1-amine is CCC(C)(CC)C1CCC(N(C)C(C)(C)CC(C)OC)CC1.
What is the InChIKey of N-(4-methoxy-2-methylpentan-2-yl)-N-methyl-4-(3-methylpentan-3-yl)cyclohexan-1-amine?
The InChIKey is UIZADOPBGKZRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-9-20(6,10-2)17-11-13-18(14-12-17)21(7)19(4,5)15-16(3)22-8/h16-18H,9-15H2,1-8H3.
What are the key properties of N-(4-methoxy-2-methylpentan-2-yl)-N-methyl-4-(3-methylpentan-3-yl)cyclohexan-1-amine?
N-(4-methoxy-2-methylpentan-2-yl)-N-methyl-4-(3-methylpentan-3-yl)cyclohexan-1-amine has a molecular weight of 311.55 g/mol, XLogP of 5.51, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylpentan-2-yl)-N-methyl-4-(3-methylpentan-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 138514518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).