N-(6-ethoxy-2,3-dimethylhexyl)cyclopropanamine

C13H27NO — CID 81015192

IUPACN-(6-ethoxy-2,3-dimethylhexyl)cyclopropanamine
SMILESCCOCCCC(C)C(C)CNC1CC1
InChIInChI=1S/C13H27NO/c1-4-15-9-5-6-11(2)12(3)10-14-13-7-8-13/h11-14H,4-10H2,1-3H3
InChIKeyVAHFRLGKADSFDC-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds9

About N-(6-ethoxy-2,3-dimethylhexyl)cyclopropanamine

N-(6-ethoxy-2,3-dimethylhexyl)cyclopropanamine (PubChem CID 81015192) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(6-ethoxy-2,3-dimethylhexyl)cyclopropanamine.

Molecular Properties

Compound NameN-(6-ethoxy-2,3-dimethylhexyl)cyclopropanamine
PubChem CID81015192
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(6-ethoxy-2,3-dimethylhexyl)cyclopropanamine
SMILESCCOCCCC(C)C(C)CNC1CC1
InChIInChI=1S/C13H27NO/c1-4-15-9-5-6-11(2)12(3)10-14-13-7-8-13/h11-14H,4-10H2,1-3H3
InChIKeyVAHFRLGKADSFDC-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
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

6-ethoxy-N-ethyl-2,3-dimethylhexan-1-amine
CID 81015252
N-[2-(2-ethoxyethyl)-3-methylbutyl]cyclopropanamine
CID 62529954
N-(2,3-dimethyl-4-propoxybutyl)cyclopropanamine
CID 81015534
N-(2-cyclopentyl-4-ethoxybutyl)cyclopropanamine
CID 112570082
N-[2-(2-ethoxyethyl)pentyl]cyclopropanamine
CID 62528732
N-[5-ethoxy-2-(4-fluorophenyl)pentyl]cyclopropanamine
CID 79438193
N-[3-(2-ethoxyethoxy)propyl]cyclopropanamine
CID 62445452
N-(2,3,5-trimethylhexyl)cyclopropanamine
CID 81016378
1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine
CID 81074188
1-(cyclopropylamino)-3-ethoxypropan-2-ol
CID 43166145
2-cyclopentyl-5-ethoxy-N-methylpentan-1-amine
CID 112569754
1-N-cyclopropyl-2-N-(2-ethoxyethyl)-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103227020

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-2,3-dimethylhexyl)cyclopropanamine?
The IUPAC name of N-(6-ethoxy-2,3-dimethylhexyl)cyclopropanamine (CID 81015192) is N-(6-ethoxy-2,3-dimethylhexyl)cyclopropanamine.
What is the SMILES notation for N-(6-ethoxy-2,3-dimethylhexyl)cyclopropanamine?
The canonical SMILES for N-(6-ethoxy-2,3-dimethylhexyl)cyclopropanamine is CCOCCCC(C)C(C)CNC1CC1.
What is the InChIKey of N-(6-ethoxy-2,3-dimethylhexyl)cyclopropanamine?
The InChIKey is VAHFRLGKADSFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-15-9-5-6-11(2)12(3)10-14-13-7-8-13/h11-14H,4-10H2,1-3H3.
What are the key properties of N-(6-ethoxy-2,3-dimethylhexyl)cyclopropanamine?
N-(6-ethoxy-2,3-dimethylhexyl)cyclopropanamine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-2,3-dimethylhexyl)cyclopropanamine is sourced from PubChem (CID 81015192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).