1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclooctan-1-amine

C17H36N2 — CID 55193794

IUPAC1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclooctan-1-amine
SMILESCCC(CC)CN(CC)C1(CN)CCCCCCC1
InChIInChI=1S/C17H36N2/c1-4-16(5-2)14-19(6-3)17(15-18)12-10-8-7-9-11-13-17/h16H,4-15,18H2,1-3H3
InChIKeyXTEXMSIFJHONMW-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.19
Rot. Bonds7

About 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclooctan-1-amine

1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclooctan-1-amine (PubChem CID 55193794) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclooctan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclooctan-1-amine
PubChem CID55193794
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclooctan-1-amine
SMILESCCC(CC)CN(CC)C1(CN)CCCCCCC1
InChIInChI=1S/C17H36N2/c1-4-16(5-2)14-19(6-3)17(15-18)12-10-8-7-9-11-13-17/h16H,4-15,18H2,1-3H3
InChIKeyXTEXMSIFJHONMW-UHFFFAOYSA-N
XLogP4.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-ethyl-N-(2-ethylhexyl)cyclopentan-1-amine
CID 63480319
4-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-1-methylazepan-4-amine
CID 65074989
1-(aminomethyl)-N,N-diethylcyclododecan-1-amine
CID 29278476
1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dimethylcyclohexan-1-amine
CID 64745254
1-(aminomethyl)-N-ethyl-N-(2-fluoroethyl)cyclopentan-1-amine
CID 80698631
1-(aminomethyl)-N-butyl-N-ethylcyclododecan-1-amine
CID 60709925
2-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 63471954
1-(aminomethyl)-N-(2-methylbutyl)-N-propylcyclohexan-1-amine
CID 62105853
N'-[1-(aminomethyl)cyclopentyl]-N,N,N'-triethylethane-1,2-diamine
CID 62010550
1-(aminomethyl)-N-ethyl-N-(3-fluoropropyl)cyclopentan-1-amine
CID 81106190
1-(aminomethyl)-N-ethyl-N-[2-(3-methylbutoxy)ethyl]cycloheptan-1-amine
CID 62007525
3-[[1-(aminomethyl)cyclohexyl]-ethylamino]propan-1-ol
CID 62005069

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclooctan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclooctan-1-amine (CID 55193794) is 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclooctan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclooctan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclooctan-1-amine is CCC(CC)CN(CC)C1(CN)CCCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclooctan-1-amine?
The InChIKey is XTEXMSIFJHONMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-4-16(5-2)14-19(6-3)17(15-18)12-10-8-7-9-11-13-17/h16H,4-15,18H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclooctan-1-amine?
1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclooctan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-(2-ethylbutyl)cyclooctan-1-amine is sourced from PubChem (CID 55193794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).