1-(1-ethoxycycloheptyl)-3-methylhexan-1-amine

C16H33NO — CID 116770638

IUPAC1-(1-ethoxycycloheptyl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(N)C1(OCC)CCCCCC1
InChIInChI=1S/C16H33NO/c1-4-10-14(3)13-15(17)16(18-5-2)11-8-6-7-9-12-16/h14-15H,4-13,17H2,1-3H3
InChIKeyCODDFHPOHCHONM-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.27
Rot. Bonds7

About 1-(1-ethoxycycloheptyl)-3-methylhexan-1-amine

1-(1-ethoxycycloheptyl)-3-methylhexan-1-amine (PubChem CID 116770638) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-(1-ethoxycycloheptyl)-3-methylhexan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxycycloheptyl)-3-methylhexan-1-amine
PubChem CID116770638
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-(1-ethoxycycloheptyl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(N)C1(OCC)CCCCCC1
InChIInChI=1S/C16H33NO/c1-4-10-14(3)13-15(17)16(18-5-2)11-8-6-7-9-12-16/h14-15H,4-13,17H2,1-3H3
InChIKeyCODDFHPOHCHONM-UHFFFAOYSA-N
XLogP4.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxycyclopentyl)-3-methylhexan-1-amine
CID 116761668
(1S)-1-(1-ethoxycyclohexyl)butan-1-amine
CID 104932321
1-(1-ethoxycyclohexyl)-N-ethyl-3-methylhexan-1-amine
CID 116764072
2-ethoxy-1-(1-ethoxycyclohexyl)ethanamine
CID 116763540
1-(1-ethoxycycloheptyl)-2-methylpropan-1-amine
CID 116770663
1-(1-ethoxycycloheptyl)butan-1-ol
CID 116756084
1-(1-ethoxycyclohexyl)hex-4-yn-1-amine
CID 116763508
[1-(4-ethoxyoxan-4-yl)-3-methylhexyl]hydrazine
CID 105276851
[1-(1-ethoxycyclopentyl)-2-methylpentyl]hydrazine
CID 107895362
3-methyl-1-(1-morpholin-4-ylcyclopentyl)hexan-1-amine
CID 79066021
1-(1-ethoxy-4-methylcyclohexyl)-3-methylhexan-1-ol
CID 116754811
1-(4-ethoxyoxan-4-yl)pent-3-yn-1-amine
CID 116765527

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycycloheptyl)-3-methylhexan-1-amine?
The IUPAC name of 1-(1-ethoxycycloheptyl)-3-methylhexan-1-amine (CID 116770638) is 1-(1-ethoxycycloheptyl)-3-methylhexan-1-amine.
What is the SMILES notation for 1-(1-ethoxycycloheptyl)-3-methylhexan-1-amine?
The canonical SMILES for 1-(1-ethoxycycloheptyl)-3-methylhexan-1-amine is CCCC(C)CC(N)C1(OCC)CCCCCC1.
What is the InChIKey of 1-(1-ethoxycycloheptyl)-3-methylhexan-1-amine?
The InChIKey is CODDFHPOHCHONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-10-14(3)13-15(17)16(18-5-2)11-8-6-7-9-12-16/h14-15H,4-13,17H2,1-3H3.
What are the key properties of 1-(1-ethoxycycloheptyl)-3-methylhexan-1-amine?
1-(1-ethoxycycloheptyl)-3-methylhexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycycloheptyl)-3-methylhexan-1-amine is sourced from PubChem (CID 116770638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).