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

C17H33NO — CID 106204886

IUPACN-[[1-(2-cyclopropylethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
SMILESCCNCC1(OCCC2CC2)CCC(C(C)C)CC1
InChIInChI=1S/C17H33NO/c1-4-18-13-17(19-12-9-15-5-6-15)10-7-16(8-11-17)14(2)3/h14-16,18H,4-13H2,1-3H3
InChIKeyPONNPWDLFWZJHU-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.00
Rot. Bonds8

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

N-[[1-(2-cyclopropylethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine (PubChem CID 106204886) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[[1-(2-cyclopropylethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-cyclopropylethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
PubChem CID106204886
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-[[1-(2-cyclopropylethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
SMILESCCNCC1(OCCC2CC2)CCC(C(C)C)CC1
InChIInChI=1S/C17H33NO/c1-4-18-13-17(19-12-9-15-5-6-15)10-7-16(8-11-17)14(2)3/h14-16,18H,4-13H2,1-3H3
InChIKeyPONNPWDLFWZJHU-UHFFFAOYSA-N
XLogP4.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.00
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
1-(2-cyclobutylethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane
CID 106204827
N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 63475515
N-[(1-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 102984714
N-[[1-(oxan-4-yloxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 62107337
N-[[1-(3-methoxy-3-methylbutoxy)-4-methylcyclohexyl]methyl]ethanamine
CID 106667112
2-methyl-N-[[1-(2-methylpropoxy)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 63474982
N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine
CID 103285214
N-[[4-ethyl-1-[2-(3-methoxypropoxy)ethoxy]cyclohexyl]methyl]ethanamine
CID 103180350
N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62109071
N-[[1-(2-cyclopropylethoxy)cycloheptyl]methyl]cyclopropanamine
CID 106204875

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-cyclopropylethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-cyclopropylethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine (CID 106204886) is N-[[1-(2-cyclopropylethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-cyclopropylethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-cyclopropylethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine is CCNCC1(OCCC2CC2)CCC(C(C)C)CC1.
What is the InChIKey of N-[[1-(2-cyclopropylethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
The InChIKey is PONNPWDLFWZJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-18-13-17(19-12-9-15-5-6-15)10-7-16(8-11-17)14(2)3/h14-16,18H,4-13H2,1-3H3.
What are the key properties of N-[[1-(2-cyclopropylethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine?
N-[[1-(2-cyclopropylethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine has a molecular weight of 267.46 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyclopropylethoxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 106204886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).