N-[(1R,2S)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine

C17H35NO — CID 59906416

IUPACN-[(1R,2S)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine
SMILESC[C@H](NC(C)(C)C)[C@H](OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C17H35NO/c1-13(18-16(2,3)4)15(19-17(5,6)7)14-11-9-8-10-12-14/h13-15,18H,8-12H2,1-7H3/t13-,15-/m0/s1
InChIKeyOFHOBISSIQSAKG-ZFWWWQNUSA-N
MW269.47 g/mol
LogP4.53
Rot. Bonds4

About N-[(1R,2S)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine

N-[(1R,2S)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine (PubChem CID 59906416) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-[(1R,2S)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(1R,2S)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine
PubChem CID59906416
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-[(1R,2S)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine
SMILESC[C@H](NC(C)(C)C)[C@H](OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C17H35NO/c1-13(18-16(2,3)4)15(19-17(5,6)7)14-11-9-8-10-12-14/h13-15,18H,8-12H2,1-7H3/t13-,15-/m0/s1
InChIKeyOFHOBISSIQSAKG-ZFWWWQNUSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R,2S)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine with MolForge

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Related Compounds

1-cyclohexyl-5-methoxy-5-methyl-N-propylhexan-2-amine
CID 103031160
1-cyclohexyl-6-methoxy-6-methyl-N-propylheptan-3-amine
CID 103031953
1-(1-ethoxycyclohexyl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103036111
1-(1-ethoxycyclohexyl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103036112
1-cyclohexyl-1,5-dimethoxy-N,5-dimethylhexan-2-amine
CID 103036144
1-cyclohexyl-N-ethyl-1,5-dimethoxy-5-methylhexan-2-amine
CID 103036145
1-cyclohexyl-1,5-dimethoxy-5-methyl-N-propylhexan-2-amine
CID 103036146
1-cyclohexyl-1-ethoxy-5-methoxy-N,5-dimethylhexan-2-amine
CID 103036148
1-cyclohexyl-1-ethoxy-N-ethyl-5-methoxy-5-methylhexan-2-amine
CID 103036149
2-cyclopropyl-N-(4-propylcyclohexyl)oxolan-3-amine
CID 103905865
2-methyl-N-[[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 63474135
N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 66274869

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine?
The IUPAC name of N-[(1R,2S)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine (CID 59906416) is N-[(1R,2S)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(1R,2S)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(1R,2S)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine is C[C@H](NC(C)(C)C)[C@H](OC(C)(C)C)C1CCCCC1.
What is the InChIKey of N-[(1R,2S)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine?
The InChIKey is OFHOBISSIQSAKG-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H35NO/c1-13(18-16(2,3)4)15(19-17(5,6)7)14-11-9-8-10-12-14/h13-15,18H,8-12H2,1-7H3/t13-,15-/m0/s1.
What are the key properties of N-[(1R,2S)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine?
N-[(1R,2S)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine has a molecular weight of 269.47 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-cyclohexyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]-2-methylpropan-2-amine is sourced from PubChem (CID 59906416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).