2-cyclopropyl-N-ethyl-6-methoxy-2-methylhexan-1-amine

C13H27NO — CID 104649541

IUPAC2-cyclopropyl-N-ethyl-6-methoxy-2-methylhexan-1-amine
SMILESCCNCC(C)(CCCCOC)C1CC1
InChIInChI=1S/C13H27NO/c1-4-14-11-13(2,12-7-8-12)9-5-6-10-15-3/h12,14H,4-11H2,1-3H3
InChIKeyNKWJGFGTQDALMP-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds9

About 2-cyclopropyl-N-ethyl-6-methoxy-2-methylhexan-1-amine

2-cyclopropyl-N-ethyl-6-methoxy-2-methylhexan-1-amine (PubChem CID 104649541) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-cyclopropyl-N-ethyl-6-methoxy-2-methylhexan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-ethyl-6-methoxy-2-methylhexan-1-amine
PubChem CID104649541
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-cyclopropyl-N-ethyl-6-methoxy-2-methylhexan-1-amine
SMILESCCNCC(C)(CCCCOC)C1CC1
InChIInChI=1S/C13H27NO/c1-4-14-11-13(2,12-7-8-12)9-5-6-10-15-3/h12,14H,4-11H2,1-3H3
InChIKeyNKWJGFGTQDALMP-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

2-cyclopropyl-N-ethyl-5-methoxy-2-methylpentan-1-amine
CID 83159680
2-cyclopropyl-N-(2-methoxyethyl)-2-methyldecan-1-amine
CID 83160454
2-cyclopropyl-4-methoxy-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 83159358
2-cyclopropyl-N-ethyl-4-(2-methoxyphenoxy)-2-methylbutan-1-amine
CID 83159411
4-butoxy-2-cyclopropyl-2-methyl-N-propylbutan-1-amine
CID 83160233
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-propan-2-ylsulfonylbutan-1-amine
CID 106730333
N-(6-methoxy-2-methyl-2-propylhexyl)cyclopropanamine
CID 104649334
2-cyclopropyl-5-(2-methoxyethoxy)-2-methylpentan-1-ol
CID 103415301
2-cyclopropyl-N-(2-methoxyethyl)-2-methyl-4-(oxolan-2-yl)butan-1-amine
CID 83160361
2-cyclopropyl-2-methyl-4-(3-methylbutoxy)-N-propylbutan-1-amine
CID 83160505
1,6-dimethoxy-6-methylheptane
CID 89190127
6-methoxy-2-methyl-N,2-dipropylhexan-1-amine
CID 104649332

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-ethyl-6-methoxy-2-methylhexan-1-amine?
The IUPAC name of 2-cyclopropyl-N-ethyl-6-methoxy-2-methylhexan-1-amine (CID 104649541) is 2-cyclopropyl-N-ethyl-6-methoxy-2-methylhexan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-ethyl-6-methoxy-2-methylhexan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-ethyl-6-methoxy-2-methylhexan-1-amine is CCNCC(C)(CCCCOC)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-ethyl-6-methoxy-2-methylhexan-1-amine?
The InChIKey is NKWJGFGTQDALMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-14-11-13(2,12-7-8-12)9-5-6-10-15-3/h12,14H,4-11H2,1-3H3.
What are the key properties of 2-cyclopropyl-N-ethyl-6-methoxy-2-methylhexan-1-amine?
2-cyclopropyl-N-ethyl-6-methoxy-2-methylhexan-1-amine 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 2-cyclopropyl-N-ethyl-6-methoxy-2-methylhexan-1-amine is sourced from PubChem (CID 104649541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).