1-cycloheptyl-N-ethyl-2-(oxolan-2-yl)ethanamine

C15H29NO — CID 65399101

IUPAC1-cycloheptyl-N-ethyl-2-(oxolan-2-yl)ethanamine
SMILESCCNC(CC1CCCO1)C1CCCCCC1
InChIInChI=1S/C15H29NO/c1-2-16-15(12-14-10-7-11-17-14)13-8-5-3-4-6-9-13/h13-16H,2-12H2,1H3
InChIKeySXWAQUVAYMRKMB-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds5

About 1-cycloheptyl-N-ethyl-2-(oxolan-2-yl)ethanamine

1-cycloheptyl-N-ethyl-2-(oxolan-2-yl)ethanamine (PubChem CID 65399101) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-cycloheptyl-N-ethyl-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name1-cycloheptyl-N-ethyl-2-(oxolan-2-yl)ethanamine
PubChem CID65399101
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-cycloheptyl-N-ethyl-2-(oxolan-2-yl)ethanamine
SMILESCCNC(CC1CCCO1)C1CCCCCC1
InChIInChI=1S/C15H29NO/c1-2-16-15(12-14-10-7-11-17-14)13-8-5-3-4-6-9-13/h13-16H,2-12H2,1H3
InChIKeySXWAQUVAYMRKMB-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-N-ethyl-3-(oxolan-2-yl)propan-2-amine
CID 62601705
1-cycloheptyl-2-cyclohexyl-N-ethylethanamine
CID 65399491
1,2-di(cycloheptyl)-N-ethylethanamine
CID 105027799
N-ethyl-1-(oxolan-2-yl)butan-2-amine
CID 60820573
2-cyclopentyl-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 112569824
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829
1,2-di(cyclobutyl)-N-ethylethanamine
CID 65456991
N-ethyl-3-methyl-1-(oxolan-2-yl)pentan-2-amine
CID 63717607
(1R)-1-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 93283261
1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 104993550
1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 104988708
N-ethyl-1-(5-methylfuran-2-yl)-2-(oxolan-2-yl)ethanamine
CID 65156443

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-ethyl-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 1-cycloheptyl-N-ethyl-2-(oxolan-2-yl)ethanamine (CID 65399101) is 1-cycloheptyl-N-ethyl-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 1-cycloheptyl-N-ethyl-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 1-cycloheptyl-N-ethyl-2-(oxolan-2-yl)ethanamine is CCNC(CC1CCCO1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-N-ethyl-2-(oxolan-2-yl)ethanamine?
The InChIKey is SXWAQUVAYMRKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-16-15(12-14-10-7-11-17-14)13-8-5-3-4-6-9-13/h13-16H,2-12H2,1H3.
What are the key properties of 1-cycloheptyl-N-ethyl-2-(oxolan-2-yl)ethanamine?
1-cycloheptyl-N-ethyl-2-(oxolan-2-yl)ethanamine has a molecular weight of 239.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-ethyl-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 65399101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).