N-[(1-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine

C17H35NO — CID 102984714

IUPACN-[(1-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine
SMILESCCCC(C)OC1(CNCC)CCC(C(C)C)CC1
InChIInChI=1S/C17H35NO/c1-6-8-15(5)19-17(13-18-7-2)11-9-16(10-12-17)14(3)4/h14-16,18H,6-13H2,1-5H3
InChIKeyCCXJQHMUNTXEBD-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.39
Rot. Bonds8

About N-[(1-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine

N-[(1-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine (PubChem CID 102984714) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-[(1-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine
PubChem CID102984714
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-[(1-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine
SMILESCCCC(C)OC1(CNCC)CCC(C(C)C)CC1
InChIInChI=1S/C17H35NO/c1-6-8-15(5)19-17(13-18-7-2)11-9-16(10-12-17)14(3)4/h14-16,18H,6-13H2,1-5H3
InChIKeyCCXJQHMUNTXEBD-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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Related Compounds

N-[(1-ethoxy-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 62108168
N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 82007334
N-[[1-(2-cyclopropylethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 106204886
N-[(1-butan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]propan-2-amine
CID 63473886
N-[(4-methyl-1-pentan-2-yloxycyclohexyl)methyl]cyclopropanamine
CID 102984869
N-[(1-octan-2-yloxycyclohexyl)methyl]ethanamine
CID 63475010
N-[[1-(oxan-4-yloxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 62107337
N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 63475515
N-[[1-(4-methylpentan-2-yloxy)cyclohexyl]methyl]ethanamine
CID 62107364
N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine
CID 103285214
1-(iodomethyl)-1-(2-methylpentoxy)-4-propan-2-ylcyclohexane
CID 103285102
N-[(3-methyl-1-propan-2-yloxycyclohexyl)methyl]ethanamine
CID 62110098

Frequently Asked Questions

What is the IUPAC name of N-[(1-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(1-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine (CID 102984714) is N-[(1-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(1-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine is CCCC(C)OC1(CNCC)CCC(C(C)C)CC1.
What is the InChIKey of N-[(1-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine?
The InChIKey is CCXJQHMUNTXEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-6-8-15(5)19-17(13-18-7-2)11-9-16(10-12-17)14(3)4/h14-16,18H,6-13H2,1-5H3.
What are the key properties of N-[(1-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine?
N-[(1-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine 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-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 102984714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).