1-(2-tert-butyl-1-ethylcyclononyl)ethanamine

C17H35N — CID 155042736

IUPAC1-(2-tert-butyl-1-ethylcyclononyl)ethanamine
SMILESCCC1(C(C)N)CCCCCCCC1C(C)(C)C
InChIInChI=1S/C17H35N/c1-6-17(14(2)18)13-11-9-7-8-10-12-15(17)16(3,4)5/h14-15H,6-13,18H2,1-5H3
InChIKeyULFBBDBBSARLDJ-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.14
Rot. Bonds2

About 1-(2-tert-butyl-1-ethylcyclononyl)ethanamine

1-(2-tert-butyl-1-ethylcyclononyl)ethanamine (PubChem CID 155042736) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 1-(2-tert-butyl-1-ethylcyclononyl)ethanamine.

Molecular Properties

Compound Name1-(2-tert-butyl-1-ethylcyclononyl)ethanamine
PubChem CID155042736
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name1-(2-tert-butyl-1-ethylcyclononyl)ethanamine
SMILESCCC1(C(C)N)CCCCCCCC1C(C)(C)C
InChIInChI=1S/C17H35N/c1-6-17(14(2)18)13-11-9-7-8-10-12-15(17)16(3,4)5/h14-15H,6-13,18H2,1-5H3
InChIKeyULFBBDBBSARLDJ-UHFFFAOYSA-N
XLogP5.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,2R)-2-tert-butyl-1-methylcyclohexan-1-ol
CID 23305114
2-tert-butyl-1-cycloheptylcyclohexan-1-amine
CID 82931284
2-tert-butyl-1-propylcyclohexan-1-amine
CID 43809442
4-tert-butylspiro[4.4]nonane
CID 140778111
1-ethyl-2-propan-2-ylcycloheptane-1-carboxamide
CID 57084439
1-ethyl-1-heptan-4-yl-2-methylcyclodecane
CID 123827321
1-butyl-2-tert-butylcyclohexan-1-amine
CID 63408346
2-tert-butyl-1-ethyl-1-methylcyclopentane
CID 123149703
8-tert-butyl-7-ethyl-7-propan-2-yl-1,4-dioxaspiro[4.5]decane
CID 137483062
2-tert-butyl-1-(2-methoxyethyl)cyclohexan-1-amine
CID 82239429
(2-tert-butyl-1-ethoxycyclohexyl)methanamine
CID 66072157
1-(1,2-diethylcyclohexyl)dodecan-1-amine;hydrate
CID 173347592

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-1-ethylcyclononyl)ethanamine?
The IUPAC name of 1-(2-tert-butyl-1-ethylcyclononyl)ethanamine (CID 155042736) is 1-(2-tert-butyl-1-ethylcyclononyl)ethanamine.
What is the SMILES notation for 1-(2-tert-butyl-1-ethylcyclononyl)ethanamine?
The canonical SMILES for 1-(2-tert-butyl-1-ethylcyclononyl)ethanamine is CCC1(C(C)N)CCCCCCCC1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butyl-1-ethylcyclononyl)ethanamine?
The InChIKey is ULFBBDBBSARLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-6-17(14(2)18)13-11-9-7-8-10-12-15(17)16(3,4)5/h14-15H,6-13,18H2,1-5H3.
What are the key properties of 1-(2-tert-butyl-1-ethylcyclononyl)ethanamine?
1-(2-tert-butyl-1-ethylcyclononyl)ethanamine has a molecular weight of 253.47 g/mol, XLogP of 5.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-1-ethylcyclononyl)ethanamine is sourced from PubChem (CID 155042736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).