1-cycloheptyl-2-ethoxy-2-methylpropan-1-amine

C13H27NO — CID 116726355

IUPAC1-cycloheptyl-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)C(N)C1CCCCCC1
InChIInChI=1S/C13H27NO/c1-4-15-13(2,3)12(14)11-9-7-5-6-8-10-11/h11-12H,4-10,14H2,1-3H3
InChIKeyAFKMXTDNKJQQEQ-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.10
Rot. Bonds4

About 1-cycloheptyl-2-ethoxy-2-methylpropan-1-amine

1-cycloheptyl-2-ethoxy-2-methylpropan-1-amine (PubChem CID 116726355) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-cycloheptyl-2-ethoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-cycloheptyl-2-ethoxy-2-methylpropan-1-amine
PubChem CID116726355
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-cycloheptyl-2-ethoxy-2-methylpropan-1-amine
SMILESCCOC(C)(C)C(N)C1CCCCCC1
InChIInChI=1S/C13H27NO/c1-4-15-13(2,3)12(14)11-9-7-5-6-8-10-11/h11-12H,4-10,14H2,1-3H3
InChIKeyAFKMXTDNKJQQEQ-UHFFFAOYSA-N
XLogP3.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-2-methyl-1-(oxan-4-yl)propan-1-amine
CID 116726362
2-ethoxy-2-methyl-1-(oxolan-3-yl)propan-1-amine
CID 116726248
1-cyclopropyl-2-ethoxy-2-methylbutan-1-amine
CID 116758654
1-cyclohexyl-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 79064562
1-cyclopentyl-2,2-dimethylpropane-1,3-diamine
CID 116933489
1-cyclopentyl-2,2-difluoropropan-1-amine
CID 84651643
1-cycloheptyl-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 82931326
1-cycloheptyl-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 82932107
1-cyclopropyl-2-ethoxy-2-methylpropan-1-ol
CID 116713582
(1S)-1-cyclohexyl-3,3-dimethylbutan-1-amine
CID 130039908
N-(1-cyclopentylethyl)-2-ethoxy-2-methylpropan-1-amine
CID 114941003
(1-cyclobutyl-2-ethoxy-2-methylbutyl)hydrazine
CID 105274890

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-ethoxy-2-methylpropan-1-amine?
The IUPAC name of 1-cycloheptyl-2-ethoxy-2-methylpropan-1-amine (CID 116726355) is 1-cycloheptyl-2-ethoxy-2-methylpropan-1-amine.
What is the SMILES notation for 1-cycloheptyl-2-ethoxy-2-methylpropan-1-amine?
The canonical SMILES for 1-cycloheptyl-2-ethoxy-2-methylpropan-1-amine is CCOC(C)(C)C(N)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-ethoxy-2-methylpropan-1-amine?
The InChIKey is AFKMXTDNKJQQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-15-13(2,3)12(14)11-9-7-5-6-8-10-11/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 1-cycloheptyl-2-ethoxy-2-methylpropan-1-amine?
1-cycloheptyl-2-ethoxy-2-methylpropan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-ethoxy-2-methylpropan-1-amine is sourced from PubChem (CID 116726355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).