N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine

C17H35NO — CID 103036772

IUPACN-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCOC(C)(C)CCC1(CNCC(C)C)CCCCC1
InChIInChI=1S/C17H35NO/c1-15(2)13-18-14-17(9-7-6-8-10-17)12-11-16(3,4)19-5/h15,18H,6-14H2,1-5H3
InChIKeyQQUFETPBSNXWSL-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.39
Rot. Bonds8

About N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine

N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine (PubChem CID 103036772) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
PubChem CID103036772
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine
SMILESCOC(C)(C)CCC1(CNCC(C)C)CCCCC1
InChIInChI=1S/C17H35NO/c1-15(2)13-18-14-17(9-7-6-8-10-17)12-11-16(3,4)19-5/h15,18H,6-14H2,1-5H3
InChIKeyQQUFETPBSNXWSL-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine (CID 103036772) is N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine is COC(C)(C)CCC1(CNCC(C)C)CCCCC1.
What is the InChIKey of N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
The InChIKey is QQUFETPBSNXWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-15(2)13-18-14-17(9-7-6-8-10-17)12-11-16(3,4)19-5/h15,18H,6-14H2,1-5H3.
What are the key properties of N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine?
N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxy-3-methylbutyl)cyclohexyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 103036772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).