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

C14H29NO — CID 62108168

IUPACN-[(1-ethoxy-4-propan-2-ylcyclohexyl)methyl]ethanamine
SMILESCCNCC1(OCC)CCC(C(C)C)CC1
InChIInChI=1S/C14H29NO/c1-5-15-11-14(16-6-2)9-7-13(8-10-14)12(3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyJHHOKPANFRNCPN-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds6

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

N-[(1-ethoxy-4-propan-2-ylcyclohexyl)methyl]ethanamine (PubChem CID 62108168) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-[(1-ethoxy-4-propan-2-ylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethoxy-4-propan-2-ylcyclohexyl)methyl]ethanamine
PubChem CID62108168
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-[(1-ethoxy-4-propan-2-ylcyclohexyl)methyl]ethanamine
SMILESCCNCC1(OCC)CCC(C(C)C)CC1
InChIInChI=1S/C14H29NO/c1-5-15-11-14(16-6-2)9-7-13(8-10-14)12(3)4/h12-13,15H,5-11H2,1-4H3
InChIKeyJHHOKPANFRNCPN-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-(oxan-4-yloxy)-4-propan-2-ylcyclohexyl]methyl]ethanamine
CID 62107337
N-[(1-pentan-2-yloxy-4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 102984714
N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 63475515
2-methyl-N-[[1-(2-methylpropoxy)-4-propan-2-ylcyclohexyl]methyl]propan-2-amine
CID 63474982
N-[(3-methyl-1-propan-2-yloxycyclohexyl)methyl]ethanamine
CID 62110098
N-[[4-tert-butyl-1-(2-methylpentoxy)cyclohexyl]methyl]ethanamine
CID 103285214
N-[[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]cyclopropanamine
CID 62109071
N-[(1-ethoxy-4-propylcyclohexyl)methyl]propan-1-amine
CID 62107816
N-[[1-(2,2-difluoroethoxy)-4-propan-2-ylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 82007210
1-(2-ethoxyethoxy)-1-(iodomethyl)-4-propan-2-ylcyclohexane
CID 114772593

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxy-4-propan-2-ylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(1-ethoxy-4-propan-2-ylcyclohexyl)methyl]ethanamine (CID 62108168) is N-[(1-ethoxy-4-propan-2-ylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethoxy-4-propan-2-ylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethoxy-4-propan-2-ylcyclohexyl)methyl]ethanamine is CCNCC1(OCC)CCC(C(C)C)CC1.
What is the InChIKey of N-[(1-ethoxy-4-propan-2-ylcyclohexyl)methyl]ethanamine?
The InChIKey is JHHOKPANFRNCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-15-11-14(16-6-2)9-7-13(8-10-14)12(3)4/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-[(1-ethoxy-4-propan-2-ylcyclohexyl)methyl]ethanamine?
N-[(1-ethoxy-4-propan-2-ylcyclohexyl)methyl]ethanamine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxy-4-propan-2-ylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 62108168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).