N-(cyclohexylmethyl)-2-octan-2-yloxyethanamine

C17H35NO — CID 55194759

IUPACN-(cyclohexylmethyl)-2-octan-2-yloxyethanamine
SMILESCCCCCCC(C)OCCNCC1CCCCC1
InChIInChI=1S/C17H35NO/c1-3-4-5-7-10-16(2)19-14-13-18-15-17-11-8-6-9-12-17/h16-18H,3-15H2,1-2H3
InChIKeyYIWXXSYSPDEYSH-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.53
Rot. Bonds11

About N-(cyclohexylmethyl)-2-octan-2-yloxyethanamine

N-(cyclohexylmethyl)-2-octan-2-yloxyethanamine (PubChem CID 55194759) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-octan-2-yloxyethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-octan-2-yloxyethanamine
PubChem CID55194759
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN-(cyclohexylmethyl)-2-octan-2-yloxyethanamine
SMILESCCCCCCC(C)OCCNCC1CCCCC1
InChIInChI=1S/C17H35NO/c1-3-4-5-7-10-16(2)19-14-13-18-15-17-11-8-6-9-12-17/h16-18H,3-15H2,1-2H3
InChIKeyYIWXXSYSPDEYSH-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-octan-2-yloxy-N-(oxolan-3-ylmethyl)ethanamine
CID 62598671
N-(2-octan-2-yloxyethyl)pentan-1-amine
CID 55194379
N-(cyclopentylmethyl)-2-heptoxyethanamine
CID 62598497
N-(cyclohexylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine
CID 103490752
N-(cyclopentylmethyl)decan-1-amine
CID 63489737
N-(cyclopentylmethyl)-2-octan-2-yloxyacetamide
CID 91095079
N-(cyclopentylmethyl)-2-(1-ethoxypropan-2-yloxy)ethanamine
CID 103490795
N-(cyclobutylmethyl)heptan-1-amine
CID 43298237
N-(2-pentan-2-yloxyethyl)hexan-1-amine
CID 102987397
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
1-nonan-2-yloxyoctadecane
CID 88815684

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-octan-2-yloxyethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-octan-2-yloxyethanamine (CID 55194759) is N-(cyclohexylmethyl)-2-octan-2-yloxyethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-octan-2-yloxyethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-octan-2-yloxyethanamine is CCCCCCC(C)OCCNCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-octan-2-yloxyethanamine?
The InChIKey is YIWXXSYSPDEYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-3-4-5-7-10-16(2)19-14-13-18-15-17-11-8-6-9-12-17/h16-18H,3-15H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-2-octan-2-yloxyethanamine?
N-(cyclohexylmethyl)-2-octan-2-yloxyethanamine has a molecular weight of 269.47 g/mol, XLogP of 4.53, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-octan-2-yloxyethanamine is sourced from PubChem (CID 55194759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).