1-(1-ethoxycycloheptyl)-2-methylpropan-1-amine

C13H27NO — CID 116770663

IUPAC1-(1-ethoxycycloheptyl)-2-methylpropan-1-amine
SMILESCCOC1(C(N)C(C)C)CCCCCC1
InChIInChI=1S/C13H27NO/c1-4-15-13(12(14)11(2)3)9-7-5-6-8-10-13/h11-12H,4-10,14H2,1-3H3
InChIKeySIRWJBTWYUXIJL-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.10
Rot. Bonds4

About 1-(1-ethoxycycloheptyl)-2-methylpropan-1-amine

1-(1-ethoxycycloheptyl)-2-methylpropan-1-amine (PubChem CID 116770663) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-(1-ethoxycycloheptyl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxycycloheptyl)-2-methylpropan-1-amine
PubChem CID116770663
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-(1-ethoxycycloheptyl)-2-methylpropan-1-amine
SMILESCCOC1(C(N)C(C)C)CCCCCC1
InChIInChI=1S/C13H27NO/c1-4-15-13(12(14)11(2)3)9-7-5-6-8-10-13/h11-12H,4-10,14H2,1-3H3
InChIKeySIRWJBTWYUXIJL-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

1-(1-ethoxycyclopentyl)-N,2-dimethylpropan-1-amine
CID 116761985
(1S)-1-(1-ethoxycyclohexyl)butan-1-amine
CID 104932321
2-ethoxy-1-(1-ethoxycyclohexyl)ethanamine
CID 116763540
1-(1-ethoxycycloheptyl)-3-methylhexan-1-amine
CID 116770638
1-(1-ethoxycyclopentyl)-3-methylhexan-1-amine
CID 116761668
(1-ethoxycyclohexyl)-(furan-2-yl)methanamine
CID 116763590
(1-ethoxycyclopentyl)-(4-propan-2-ylphenyl)methanamine
CID 116761580
1-(1-ethoxycyclohexyl)hex-4-yn-1-amine
CID 116763508
1-(4-ethoxyoxan-4-yl)-2-methylpentan-1-amine
CID 107896923
1-(1-ethoxycycloheptyl)butan-1-ol
CID 116756084
1-(1-ethoxycyclopentyl)-2-(furan-2-yl)ethanamine
CID 116761654
(1-ethoxycyclohexyl)-(2-ethylcyclohexyl)methanamine
CID 116763744

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycycloheptyl)-2-methylpropan-1-amine?
The IUPAC name of 1-(1-ethoxycycloheptyl)-2-methylpropan-1-amine (CID 116770663) is 1-(1-ethoxycycloheptyl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(1-ethoxycycloheptyl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(1-ethoxycycloheptyl)-2-methylpropan-1-amine is CCOC1(C(N)C(C)C)CCCCCC1.
What is the InChIKey of 1-(1-ethoxycycloheptyl)-2-methylpropan-1-amine?
The InChIKey is SIRWJBTWYUXIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-15-13(12(14)11(2)3)9-7-5-6-8-10-13/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 1-(1-ethoxycycloheptyl)-2-methylpropan-1-amine?
1-(1-ethoxycycloheptyl)-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-(1-ethoxycycloheptyl)-2-methylpropan-1-amine is sourced from PubChem (CID 116770663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).