N-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine

C17H31NO — CID 55066097

IUPACN-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
SMILESCC(C)C1CCC(CNC2CC2)(OC2CCC2)CC1
InChIInChI=1S/C17H31NO/c1-13(2)14-8-10-17(11-9-14,12-18-15-6-7-15)19-16-4-3-5-16/h13-16,18H,3-12H2,1-2H3
InChIKeyIVNMEKRFJISOBX-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.89
Rot. Bonds6

About N-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine

N-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine (PubChem CID 55066097) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
PubChem CID55066097
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine
SMILESCC(C)C1CCC(CNC2CC2)(OC2CCC2)CC1
InChIInChI=1S/C17H31NO/c1-13(2)14-8-10-17(11-9-14,12-18-15-6-7-15)19-16-4-3-5-16/h13-16,18H,3-12H2,1-2H3
InChIKeyIVNMEKRFJISOBX-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 62108900
N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62109071
N-[[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62109243
N-[[4-ethyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62111094
N-[[4-ethyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine
CID 66275298
N-[[4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-1-amine
CID 66275513
N-[[4-propyl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine
CID 66276163
N-[[4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]cyclopropanamine
CID 66276164
N-[[4-propan-2-yl-1-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methyl]propan-2-amine
CID 66277029
N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]cyclopropanamine
CID 82005687
N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 82005850
N-[[4-tert-butyl-1-(2,2-difluoroethoxy)cyclohexyl]methyl]cyclopropanamine
CID 82006482

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine (CID 55066097) is N-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine is CC(C)C1CCC(CNC2CC2)(OC2CCC2)CC1.
What is the InChIKey of N-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine?
The InChIKey is IVNMEKRFJISOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-13(2)14-8-10-17(11-9-14,12-18-15-6-7-15)19-16-4-3-5-16/h13-16,18H,3-12H2,1-2H3.
What are the key properties of N-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine?
N-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine has a molecular weight of 265.44 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclobutyloxy-4-propan-2-ylcyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 55066097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).